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 84:sc= 0.724 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= 0.939 K(o=0.94,f=-0.8) USER MOD Single : B 25 GLN : amide:sc= -0.898 K(o=-0.9,f=-0.14) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -158:sc= 0.704 (180deg=0.166) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 179:sc= 0.999 (180deg=0.925) USER MOD Single : B 42 LYS NZ :NH3+ -167:sc=-0.00158 (180deg=-0.151) USER MOD Single : B 52 GLN : amide:sc= 0.0757 K(o=0.076,f=-2.9!) USER MOD Single : B 53 THR OG1 : rot 180:sc=-0.000633 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 1.501 -7.652 1.314 1.00 0.00 O ATOM 2 C5' DA A 1 2.619 -7.863 2.150 1.00 0.00 C ATOM 3 C4' DA A 1 2.267 -7.642 3.632 1.00 0.00 C ATOM 4 O4' DA A 1 3.459 -7.601 4.403 1.00 0.00 O ATOM 5 C3' DA A 1 1.537 -6.338 3.940 1.00 0.00 C ATOM 6 O3' DA A 1 0.982 -6.411 5.247 1.00 0.00 O ATOM 7 C2' DA A 1 2.746 -5.431 3.927 1.00 0.00 C ATOM 8 C1' DA A 1 3.697 -6.254 4.784 1.00 0.00 C ATOM 9 N9 DA A 1 5.126 -5.930 4.602 1.00 0.00 N ATOM 10 C8 DA A 1 5.779 -5.476 3.485 1.00 0.00 C ATOM 11 N7 DA A 1 7.070 -5.362 3.630 1.00 0.00 N ATOM 12 C5 DA A 1 7.289 -5.744 4.948 1.00 0.00 C ATOM 13 C6 DA A 1 8.447 -5.810 5.752 1.00 0.00 C ATOM 14 N6 DA A 1 9.667 -5.504 5.295 1.00 0.00 N ATOM 15 N1 DA A 1 8.314 -6.193 7.037 1.00 0.00 N ATOM 16 C2 DA A 1 7.101 -6.488 7.500 1.00 0.00 C ATOM 17 N3 DA A 1 5.940 -6.464 6.851 1.00 0.00 N ATOM 18 C4 DA A 1 6.104 -6.073 5.557 1.00 0.00 C ATOM 0 H5' DA A 1 3.423 -7.186 1.861 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.992 -8.878 2.011 1.00 0.00 H new ATOM 0 H4' DA A 1 1.605 -8.473 3.877 1.00 0.00 H new ATOM 0 H3' DA A 1 0.714 -6.055 3.283 1.00 0.00 H new ATOM 0 H2' DA A 1 3.130 -5.262 2.921 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.538 -4.451 4.357 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.416 -6.696 1.116 1.00 0.00 H new ATOM 0 H1' DA A 1 3.504 -6.046 5.836 1.00 0.00 H new ATOM 0 H8 DA A 1 5.268 -5.234 2.565 1.00 0.00 H new ATOM 0 H61 DA A 1 10.474 -5.567 5.915 1.00 0.00 H new ATOM 0 H62 DA A 1 9.789 -5.208 4.327 1.00 0.00 H new ATOM 0 H2 DA A 1 7.053 -6.785 8.537 1.00 0.00 H new ATOM 31 P DC A 2 -0.479 -5.834 5.594 1.00 0.00 P ATOM 32 OP1 DC A 2 -0.713 -5.984 7.046 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.444 -6.438 4.649 1.00 0.00 O ATOM 34 O5' DC A 2 -0.360 -4.257 5.257 1.00 0.00 O ATOM 35 C5' DC A 2 -0.328 -3.247 6.256 1.00 0.00 C ATOM 36 C4' DC A 2 0.928 -3.298 7.136 1.00 0.00 C ATOM 37 O4' DC A 2 2.104 -3.434 6.371 1.00 0.00 O ATOM 38 C3' DC A 2 1.164 -1.991 7.896 1.00 0.00 C ATOM 39 O3' DC A 2 0.505 -1.990 9.149 1.00 0.00 O ATOM 40 C2' DC A 2 2.692 -1.936 8.021 1.00 0.00 C ATOM 41 C1' DC A 2 3.166 -3.166 7.258 1.00 0.00 C ATOM 42 N1 DC A 2 4.477 -2.933 6.599 1.00 0.00 N ATOM 43 C2 DC A 2 5.642 -3.149 7.339 1.00 0.00 C ATOM 44 O2 DC A 2 5.589 -3.485 8.520 1.00 0.00 O ATOM 45 N3 DC A 2 6.846 -2.982 6.719 1.00 0.00 N ATOM 46 C4 DC A 2 6.918 -2.621 5.431 1.00 0.00 C ATOM 47 N4 DC A 2 8.124 -2.485 4.869 1.00 0.00 N ATOM 48 C5 DC A 2 5.732 -2.378 4.659 1.00 0.00 C ATOM 49 C6 DC A 2 4.545 -2.518 5.295 1.00 0.00 C ATOM 0 H5' DC A 2 -1.210 -3.345 6.889 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.387 -2.270 5.776 1.00 0.00 H new ATOM 0 H4' DC A 2 0.746 -4.144 7.799 1.00 0.00 H new ATOM 0 H3' DC A 2 0.760 -1.113 7.392 1.00 0.00 H new ATOM 0 H2' DC A 2 3.095 -1.019 7.591 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.009 -1.966 9.063 1.00 0.00 H new ATOM 0 H1' DC A 2 3.369 -4.027 7.894 1.00 0.00 H new ATOM 0 H41 DC A 2 8.202 -2.211 3.890 1.00 0.00 H new ATOM 0 H42 DC A 2 8.965 -2.655 5.420 1.00 0.00 H new ATOM 0 H5 DC A 2 5.784 -2.096 3.618 1.00 0.00 H new ATOM 0 H6 DC A 2 3.632 -2.298 4.763 1.00 0.00 H new ATOM 61 P DG A 3 0.202 -0.611 9.931 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.400 -0.938 11.241 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.531 0.275 8.995 1.00 0.00 O ATOM 64 O5' DG A 3 1.677 -0.004 10.181 1.00 0.00 O ATOM 65 C5' DG A 3 1.878 1.369 10.454 1.00 0.00 C ATOM 66 C4' DG A 3 3.365 1.741 10.308 1.00 0.00 C ATOM 67 O4' DG A 3 3.862 1.128 9.127 1.00 0.00 O ATOM 68 C3' DG A 3 3.474 3.260 10.115 1.00 0.00 C ATOM 69 O3' DG A 3 4.623 3.915 10.652 1.00 0.00 O ATOM 70 C2' DG A 3 3.332 3.386 8.610 1.00 0.00 C ATOM 71 C1' DG A 3 3.955 2.085 8.090 1.00 0.00 C ATOM 72 N9 DG A 3 3.314 1.594 6.847 1.00 0.00 N ATOM 73 C8 DG A 3 1.982 1.500 6.529 1.00 0.00 C ATOM 74 N7 DG A 3 1.754 1.182 5.286 1.00 0.00 N ATOM 75 C5 DG A 3 3.022 0.996 4.748 1.00 0.00 C ATOM 76 C6 DG A 3 3.427 0.682 3.413 1.00 0.00 C ATOM 77 O6 DG A 3 2.721 0.559 2.414 1.00 0.00 O ATOM 78 N1 DG A 3 4.808 0.541 3.294 1.00 0.00 N ATOM 79 C2 DG A 3 5.697 0.676 4.346 1.00 0.00 C ATOM 80 N2 DG A 3 6.986 0.437 4.092 1.00 0.00 N ATOM 81 N3 DG A 3 5.324 1.009 5.590 1.00 0.00 N ATOM 82 C4 DG A 3 3.979 1.171 5.721 1.00 0.00 C ATOM 0 H5' DG A 3 1.538 1.598 11.464 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.278 1.972 9.772 1.00 0.00 H new ATOM 0 H4' DG A 3 3.921 1.418 11.188 1.00 0.00 H new ATOM 0 H3' DG A 3 2.717 3.789 10.694 1.00 0.00 H new ATOM 0 H2' DG A 3 2.288 3.481 8.310 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.854 4.263 8.228 1.00 0.00 H new ATOM 0 H1' DG A 3 4.995 2.268 7.821 1.00 0.00 H new ATOM 0 H8 DG A 3 1.193 1.674 7.245 1.00 0.00 H new ATOM 0 H1 DG A 3 5.188 0.324 2.373 1.00 0.00 H new ATOM 0 H21 DG A 3 7.677 0.524 4.837 1.00 0.00 H new ATOM 0 H22 DG A 3 7.279 0.167 3.153 1.00 0.00 H new ATOM 94 P DC A 4 6.164 3.748 10.154 1.00 0.00 P ATOM 95 OP1 DC A 4 6.438 2.314 9.922 1.00 0.00 O ATOM 96 OP2 DC A 4 6.993 4.485 11.133 1.00 0.00 O ATOM 97 O5' DC A 4 6.305 4.537 8.734 1.00 0.00 O ATOM 98 C5' DC A 4 7.499 4.411 7.972 1.00 0.00 C ATOM 99 C4' DC A 4 7.757 5.504 6.916 1.00 0.00 C ATOM 100 O4' DC A 4 6.953 5.409 5.751 1.00 0.00 O ATOM 101 C3' DC A 4 7.615 6.943 7.434 1.00 0.00 C ATOM 102 O3' DC A 4 8.835 7.664 7.381 1.00 0.00 O ATOM 103 C2' DC A 4 6.664 7.569 6.414 1.00 0.00 C ATOM 104 C1' DC A 4 6.958 6.705 5.186 1.00 0.00 C ATOM 105 N1 DC A 4 6.048 6.869 4.007 1.00 0.00 N ATOM 106 C2 DC A 4 6.609 6.785 2.724 1.00 0.00 C ATOM 107 O2 DC A 4 7.822 6.670 2.557 1.00 0.00 O ATOM 108 N3 DC A 4 5.781 6.815 1.643 1.00 0.00 N ATOM 109 C4 DC A 4 4.455 6.923 1.781 1.00 0.00 C ATOM 110 N4 DC A 4 3.691 6.844 0.687 1.00 0.00 N ATOM 111 C5 DC A 4 3.860 7.105 3.074 1.00 0.00 C ATOM 112 C6 DC A 4 4.692 7.077 4.145 1.00 0.00 C ATOM 0 H5' DC A 4 7.482 3.445 7.467 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.344 4.395 8.661 1.00 0.00 H new ATOM 0 H4' DC A 4 8.798 5.301 6.663 1.00 0.00 H new ATOM 0 H3' DC A 4 7.285 6.962 8.473 1.00 0.00 H new ATOM 0 H2' DC A 4 5.622 7.504 6.726 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.880 8.623 6.240 1.00 0.00 H new ATOM 0 H1' DC A 4 7.893 6.987 4.702 1.00 0.00 H new ATOM 0 H41 DC A 4 2.677 6.923 0.766 1.00 0.00 H new ATOM 0 H42 DC A 4 4.122 6.704 -0.227 1.00 0.00 H new ATOM 0 H5 DC A 4 2.797 7.257 3.189 1.00 0.00 H new ATOM 0 H6 DC A 4 4.281 7.222 5.133 1.00 0.00 H new ATOM 124 P DC A 5 10.161 7.228 8.190 1.00 0.00 P ATOM 125 OP1 DC A 5 11.051 6.517 7.244 1.00 0.00 O ATOM 126 OP2 DC A 5 9.748 6.551 9.438 1.00 0.00 O ATOM 127 O5' DC A 5 10.858 8.628 8.606 1.00 0.00 O ATOM 128 C5' DC A 5 11.059 9.689 7.686 1.00 0.00 C ATOM 129 C4' DC A 5 10.063 10.829 7.948 1.00 0.00 C ATOM 130 O4' DC A 5 8.733 10.386 7.757 1.00 0.00 O ATOM 131 C3' DC A 5 10.153 11.388 9.370 1.00 0.00 C ATOM 132 O3' DC A 5 11.071 12.458 9.454 1.00 0.00 O ATOM 133 C2' DC A 5 8.727 11.863 9.622 1.00 0.00 C ATOM 134 C1' DC A 5 7.867 10.987 8.701 1.00 0.00 C ATOM 135 N1 DC A 5 7.123 9.904 9.414 1.00 0.00 N ATOM 136 C2 DC A 5 5.771 9.697 9.111 1.00 0.00 C ATOM 137 O2 DC A 5 5.182 10.402 8.294 1.00 0.00 O ATOM 138 N3 DC A 5 5.106 8.681 9.736 1.00 0.00 N ATOM 139 C4 DC A 5 5.727 7.883 10.618 1.00 0.00 C ATOM 140 N4 DC A 5 5.039 6.885 11.178 1.00 0.00 N ATOM 141 C5 DC A 5 7.108 8.079 10.951 1.00 0.00 C ATOM 142 C6 DC A 5 7.756 9.090 10.326 1.00 0.00 C ATOM 0 H5' DC A 5 10.939 9.321 6.667 1.00 0.00 H new ATOM 0 H5'' DC A 5 12.079 10.063 7.772 1.00 0.00 H new ATOM 0 H4' DC A 5 10.328 11.613 7.239 1.00 0.00 H new ATOM 0 H3' DC A 5 10.509 10.660 10.098 1.00 0.00 H new ATOM 0 H2' DC A 5 8.445 11.738 10.667 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.612 12.921 9.386 1.00 0.00 H new ATOM 0 HO3' DC A 5 11.102 12.791 10.375 1.00 0.00 H new ATOM 0 H1' DC A 5 7.116 11.631 8.244 1.00 0.00 H new ATOM 0 H41 DC A 5 5.493 6.267 11.851 1.00 0.00 H new ATOM 0 H42 DC A 5 4.059 6.740 10.933 1.00 0.00 H new ATOM 0 H5 DC A 5 7.609 7.447 11.669 1.00 0.00 H new ATOM 0 H6 DC A 5 8.798 9.263 10.549 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 20.705 3.041 6.110 1.00 0.00 N ATOM 157 CA GLY B 14 20.312 1.692 5.667 1.00 0.00 C ATOM 158 C GLY B 14 20.622 1.462 4.190 1.00 0.00 C ATOM 159 O GLY B 14 21.234 2.314 3.548 1.00 0.00 O ATOM 0 HA2 GLY B 14 20.834 0.947 6.267 1.00 0.00 H new ATOM 0 HA3 GLY B 14 19.245 1.550 5.840 1.00 0.00 H new ATOM 165 N GLU B 15 20.192 0.311 3.659 1.00 0.00 N ATOM 166 CA GLU B 15 20.377 -0.043 2.259 1.00 0.00 C ATOM 167 C GLU B 15 19.483 0.834 1.374 1.00 0.00 C ATOM 168 O GLU B 15 18.445 1.324 1.820 1.00 0.00 O ATOM 169 CB GLU B 15 20.065 -1.537 2.074 1.00 0.00 C ATOM 170 CG GLU B 15 20.568 -2.088 0.732 1.00 0.00 C ATOM 171 CD GLU B 15 20.185 -3.552 0.538 1.00 0.00 C ATOM 172 OE1 GLU B 15 20.410 -4.341 1.481 1.00 0.00 O ATOM 173 OE2 GLU B 15 19.654 -3.866 -0.548 1.00 0.00 O ATOM 0 H GLU B 15 19.702 -0.402 4.199 1.00 0.00 H new ATOM 0 HA GLU B 15 21.410 0.134 1.960 1.00 0.00 H new ATOM 0 HB2 GLU B 15 20.520 -2.102 2.887 1.00 0.00 H new ATOM 0 HB3 GLU B 15 18.988 -1.690 2.144 1.00 0.00 H new ATOM 0 HG2 GLU B 15 20.154 -1.494 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU B 15 21.652 -1.987 0.681 1.00 0.00 H new ATOM 180 N ARG B 16 19.888 1.014 0.113 1.00 0.00 N ATOM 181 CA ARG B 16 19.089 1.666 -0.917 1.00 0.00 C ATOM 182 C ARG B 16 17.820 0.855 -1.203 1.00 0.00 C ATOM 183 O ARG B 16 17.714 -0.308 -0.810 1.00 0.00 O ATOM 184 CB ARG B 16 19.929 1.797 -2.196 1.00 0.00 C ATOM 185 CG ARG B 16 21.146 2.713 -1.999 1.00 0.00 C ATOM 186 CD ARG B 16 22.062 2.687 -3.227 1.00 0.00 C ATOM 187 NE ARG B 16 21.372 3.163 -4.433 1.00 0.00 N ATOM 188 CZ ARG B 16 21.887 3.138 -5.674 1.00 0.00 C ATOM 189 NH1 ARG B 16 23.124 2.669 -5.892 1.00 0.00 N ATOM 190 NH2 ARG B 16 21.156 3.586 -6.703 1.00 0.00 N ATOM 0 H ARG B 16 20.800 0.703 -0.222 1.00 0.00 H new ATOM 0 HA ARG B 16 18.792 2.656 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG B 16 20.267 0.809 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG B 16 19.306 2.191 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG B 16 20.811 3.733 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG B 16 21.705 2.396 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG B 16 22.938 3.308 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG B 16 22.421 1.671 -3.391 1.00 0.00 H new ATOM 0 HE ARG B 16 20.431 3.541 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG B 16 23.684 2.326 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG B 16 23.505 2.655 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG B 16 20.214 3.943 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG B 16 21.541 3.570 -7.647 1.00 0.00 H new ATOM 204 N ARG B 17 16.861 1.464 -1.912 1.00 0.00 N ATOM 205 CA ARG B 17 15.655 0.775 -2.350 1.00 0.00 C ATOM 206 C ARG B 17 16.002 -0.413 -3.249 1.00 0.00 C ATOM 207 O ARG B 17 16.970 -0.364 -4.007 1.00 0.00 O ATOM 208 CB ARG B 17 14.735 1.722 -3.129 1.00 0.00 C ATOM 209 CG ARG B 17 14.034 2.745 -2.226 1.00 0.00 C ATOM 210 CD ARG B 17 12.899 3.439 -2.988 1.00 0.00 C ATOM 211 NE ARG B 17 11.867 2.469 -3.378 1.00 0.00 N ATOM 212 CZ ARG B 17 10.752 2.722 -4.076 1.00 0.00 C ATOM 213 NH1 ARG B 17 10.486 3.960 -4.513 1.00 0.00 N ATOM 214 NH2 ARG B 17 9.905 1.714 -4.322 1.00 0.00 N ATOM 0 H ARG B 17 16.905 2.443 -2.194 1.00 0.00 H new ATOM 0 HA ARG B 17 15.143 0.421 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG B 17 15.319 2.250 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.984 1.137 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.636 2.247 -1.342 1.00 0.00 H new ATOM 0 HG3 ARG B 17 14.754 3.486 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG B 17 12.458 4.216 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG B 17 13.297 3.930 -3.876 1.00 0.00 H new ATOM 0 HE ARG B 17 12.015 1.503 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.135 4.721 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.634 4.141 -5.044 1.00 0.00 H new ATOM 0 HH21 ARG B 17 10.115 0.776 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.050 1.884 -4.852 1.00 0.00 H new ATOM 228 N ARG B 18 15.169 -1.455 -3.178 1.00 0.00 N ATOM 229 CA ARG B 18 15.196 -2.593 -4.084 1.00 0.00 C ATOM 230 C ARG B 18 14.014 -2.474 -5.049 1.00 0.00 C ATOM 231 O ARG B 18 13.204 -1.553 -4.942 1.00 0.00 O ATOM 232 CB ARG B 18 15.142 -3.895 -3.272 1.00 0.00 C ATOM 233 CG ARG B 18 16.330 -4.021 -2.310 1.00 0.00 C ATOM 234 CD ARG B 18 16.217 -5.317 -1.503 1.00 0.00 C ATOM 235 NE ARG B 18 17.332 -5.446 -0.556 1.00 0.00 N ATOM 236 CZ ARG B 18 17.451 -6.414 0.367 1.00 0.00 C ATOM 237 NH1 ARG B 18 16.523 -7.375 0.472 1.00 0.00 N ATOM 238 NH2 ARG B 18 18.506 -6.420 1.193 1.00 0.00 N ATOM 0 H ARG B 18 14.440 -1.527 -2.468 1.00 0.00 H new ATOM 0 HA ARG B 18 16.118 -2.606 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG B 18 14.211 -3.931 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG B 18 15.134 -4.747 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG B 18 17.265 -4.013 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG B 18 16.355 -3.165 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG B 18 15.271 -5.331 -0.961 1.00 0.00 H new ATOM 0 HD3 ARG B 18 16.209 -6.171 -2.180 1.00 0.00 H new ATOM 0 HE ARG B 18 18.073 -4.747 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG B 18 15.717 -7.376 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG B 18 16.623 -8.106 1.177 1.00 0.00 H new ATOM 0 HH21 ARG B 18 19.215 -5.691 1.119 1.00 0.00 H new ATOM 0 HH22 ARG B 18 18.600 -7.154 1.895 1.00 0.00 H new ATOM 252 N SER B 19 13.916 -3.409 -5.998 1.00 0.00 N ATOM 253 CA SER B 19 12.827 -3.483 -6.958 1.00 0.00 C ATOM 254 C SER B 19 11.574 -4.047 -6.279 1.00 0.00 C ATOM 255 O SER B 19 11.184 -5.184 -6.539 1.00 0.00 O ATOM 256 CB SER B 19 13.282 -4.353 -8.134 1.00 0.00 C ATOM 257 OG SER B 19 14.448 -3.811 -8.719 1.00 0.00 O ATOM 0 H SER B 19 14.609 -4.148 -6.117 1.00 0.00 H new ATOM 0 HA SER B 19 12.571 -2.492 -7.334 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.477 -5.369 -7.790 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.488 -4.415 -8.878 1.00 0.00 H new ATOM 0 HG SER B 19 14.731 -4.376 -9.468 1.00 0.00 H new ATOM 263 N GLN B 20 10.960 -3.255 -5.391 1.00 0.00 N ATOM 264 CA GLN B 20 9.850 -3.681 -4.552 1.00 0.00 C ATOM 265 C GLN B 20 9.051 -2.473 -4.054 1.00 0.00 C ATOM 266 O GLN B 20 9.300 -1.336 -4.450 1.00 0.00 O ATOM 267 CB GLN B 20 10.388 -4.526 -3.381 1.00 0.00 C ATOM 268 CG GLN B 20 11.239 -3.686 -2.418 1.00 0.00 C ATOM 269 CD GLN B 20 11.865 -4.499 -1.288 1.00 0.00 C ATOM 270 OE1 GLN B 20 11.741 -5.720 -1.234 1.00 0.00 O ATOM 271 NE2 GLN B 20 12.548 -3.808 -0.374 1.00 0.00 N ATOM 0 H GLN B 20 11.231 -2.284 -5.238 1.00 0.00 H new ATOM 0 HA GLN B 20 9.168 -4.297 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.553 -4.968 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.986 -5.350 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.031 -3.193 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.618 -2.900 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.627 -2.794 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.991 -4.293 0.406 1.00 0.00 H new ATOM 280 N LEU B 21 8.097 -2.751 -3.160 1.00 0.00 N ATOM 281 CA LEU B 21 7.281 -1.778 -2.447 1.00 0.00 C ATOM 282 C LEU B 21 8.113 -0.697 -1.745 1.00 0.00 C ATOM 283 O LEU B 21 7.945 0.489 -2.032 1.00 0.00 O ATOM 284 CB LEU B 21 6.321 -2.496 -1.480 1.00 0.00 C ATOM 285 CG LEU B 21 6.958 -3.613 -0.624 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.954 -3.252 0.863 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.218 -4.941 -0.840 1.00 0.00 C ATOM 0 H LEU B 21 7.866 -3.711 -2.905 1.00 0.00 H new ATOM 0 HA LEU B 21 6.685 -1.244 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.883 -1.754 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.504 -2.926 -2.059 1.00 0.00 H new ATOM 0 HG LEU B 21 7.994 -3.722 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.410 -4.060 1.435 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.522 -2.334 1.016 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.928 -3.104 1.199 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.679 -5.718 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.173 -4.826 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.276 -5.223 -1.891 1.00 0.00 H new ATOM 299 N ASP B 22 8.985 -1.110 -0.816 1.00 0.00 N ATOM 300 CA ASP B 22 9.750 -0.243 0.073 1.00 0.00 C ATOM 301 C ASP B 22 8.807 0.650 0.895 1.00 0.00 C ATOM 302 O ASP B 22 7.677 0.261 1.191 1.00 0.00 O ATOM 303 CB ASP B 22 10.816 0.549 -0.705 1.00 0.00 C ATOM 304 CG ASP B 22 11.675 -0.335 -1.603 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.549 -1.043 -1.057 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.456 -0.267 -2.832 1.00 0.00 O ATOM 0 H ASP B 22 9.181 -2.099 -0.662 1.00 0.00 H new ATOM 0 HA ASP B 22 10.298 -0.859 0.786 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.325 1.308 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP B 22 11.459 1.074 0.002 1.00 0.00 H new ATOM 311 N ARG B 23 9.273 1.844 1.279 1.00 0.00 N ATOM 312 CA ARG B 23 8.499 2.801 2.056 1.00 0.00 C ATOM 313 C ARG B 23 7.660 3.700 1.164 1.00 0.00 C ATOM 314 O ARG B 23 6.557 4.057 1.541 1.00 0.00 O ATOM 315 CB ARG B 23 9.420 3.604 2.973 1.00 0.00 C ATOM 316 CG ARG B 23 10.102 2.651 3.963 1.00 0.00 C ATOM 317 CD ARG B 23 10.012 3.216 5.379 1.00 0.00 C ATOM 318 NE ARG B 23 10.526 2.268 6.375 1.00 0.00 N ATOM 319 CZ ARG B 23 10.835 2.567 7.649 1.00 0.00 C ATOM 320 NH1 ARG B 23 10.897 3.836 8.078 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.086 1.574 8.513 1.00 0.00 N ATOM 0 H ARG B 23 10.212 2.171 1.052 1.00 0.00 H new ATOM 0 HA ARG B 23 7.799 2.248 2.682 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.169 4.132 2.383 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.848 4.359 3.512 1.00 0.00 H new ATOM 0 HG2 ARG B 23 9.627 1.671 3.923 1.00 0.00 H new ATOM 0 HG3 ARG B 23 11.146 2.511 3.684 1.00 0.00 H new ATOM 0 HD2 ARG B 23 10.577 4.146 5.436 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.975 3.459 5.609 1.00 0.00 H new ATOM 0 HE ARG B 23 10.660 1.302 6.076 1.00 0.00 H new ATOM 0 HH11 ARG B 23 10.707 4.602 7.432 1.00 0.00 H new ATOM 0 HH12 ARG B 23 11.134 4.035 9.050 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.042 0.604 8.202 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.321 1.788 9.482 1.00 0.00 H new ATOM 335 N ASP B 24 8.174 4.051 -0.011 1.00 0.00 N ATOM 336 CA ASP B 24 7.507 4.879 -1.003 1.00 0.00 C ATOM 337 C ASP B 24 6.111 4.356 -1.377 1.00 0.00 C ATOM 338 O ASP B 24 5.128 5.088 -1.265 1.00 0.00 O ATOM 339 CB ASP B 24 8.421 4.937 -2.233 1.00 0.00 C ATOM 340 CG ASP B 24 7.804 5.673 -3.420 1.00 0.00 C ATOM 341 OD1 ASP B 24 7.210 6.747 -3.187 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.955 5.149 -4.546 1.00 0.00 O ATOM 0 H ASP B 24 9.104 3.753 -0.307 1.00 0.00 H new ATOM 0 HA ASP B 24 7.340 5.873 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.355 5.427 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.672 3.921 -2.537 1.00 0.00 H new ATOM 347 N GLN B 25 6.033 3.101 -1.839 1.00 0.00 N ATOM 348 CA GLN B 25 4.838 2.534 -2.462 1.00 0.00 C ATOM 349 C GLN B 25 4.033 1.627 -1.521 1.00 0.00 C ATOM 350 O GLN B 25 4.520 1.237 -0.460 1.00 0.00 O ATOM 351 CB GLN B 25 5.259 1.726 -3.692 1.00 0.00 C ATOM 352 CG GLN B 25 6.278 2.410 -4.609 1.00 0.00 C ATOM 353 CD GLN B 25 6.656 1.499 -5.774 1.00 0.00 C ATOM 354 OE1 GLN B 25 6.489 1.858 -6.936 1.00 0.00 O ATOM 355 NE2 GLN B 25 7.168 0.307 -5.457 1.00 0.00 N ATOM 0 H GLN B 25 6.812 2.444 -1.788 1.00 0.00 H new ATOM 0 HA GLN B 25 4.190 3.368 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.677 0.777 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.368 1.494 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.862 3.342 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.171 2.669 -4.039 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.290 0.048 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.437 -0.345 -6.194 1.00 0.00 H new ATOM 364 N CYS B 26 2.803 1.274 -1.937 1.00 0.00 N ATOM 365 CA CYS B 26 1.929 0.356 -1.210 1.00 0.00 C ATOM 366 C CYS B 26 2.568 -1.019 -1.049 1.00 0.00 C ATOM 367 O CYS B 26 3.026 -1.627 -2.016 1.00 0.00 O ATOM 368 CB CYS B 26 0.545 0.209 -1.869 1.00 0.00 C ATOM 369 SG CYS B 26 -0.494 -1.037 -1.035 1.00 0.00 S ATOM 0 H CYS B 26 2.390 1.627 -2.800 1.00 0.00 H new ATOM 0 HA CYS B 26 1.787 0.800 -0.225 1.00 0.00 H new ATOM 0 HB2 CYS B 26 0.035 1.172 -1.855 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.672 -0.069 -2.915 1.00 0.00 H new ATOM 374 N ALA B 27 2.538 -1.516 0.189 1.00 0.00 N ATOM 375 CA ALA B 27 3.025 -2.821 0.593 1.00 0.00 C ATOM 376 C ALA B 27 2.051 -3.944 0.219 1.00 0.00 C ATOM 377 O ALA B 27 1.710 -4.785 1.048 1.00 0.00 O ATOM 378 CB ALA B 27 3.252 -2.773 2.103 1.00 0.00 C ATOM 0 H ALA B 27 2.152 -0.986 0.971 1.00 0.00 H new ATOM 0 HA ALA B 27 3.953 -3.045 0.067 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.620 -3.740 2.447 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.986 -2.002 2.336 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.312 -2.543 2.605 1.00 0.00 H new ATOM 384 N TYR B 28 1.575 -3.962 -1.026 1.00 0.00 N ATOM 385 CA TYR B 28 0.498 -4.849 -1.441 1.00 0.00 C ATOM 386 C TYR B 28 0.387 -4.783 -2.961 1.00 0.00 C ATOM 387 O TYR B 28 0.443 -5.805 -3.643 1.00 0.00 O ATOM 388 CB TYR B 28 -0.814 -4.412 -0.759 1.00 0.00 C ATOM 389 CG TYR B 28 -1.841 -5.496 -0.514 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.728 -5.885 -1.534 1.00 0.00 C ATOM 391 CD2 TYR B 28 -1.949 -6.072 0.764 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.787 -6.764 -1.246 1.00 0.00 C ATOM 393 CE2 TYR B 28 -2.995 -6.966 1.048 1.00 0.00 C ATOM 394 CZ TYR B 28 -3.930 -7.292 0.049 1.00 0.00 C ATOM 395 OH TYR B 28 -4.975 -8.121 0.334 1.00 0.00 O ATOM 0 H TYR B 28 1.927 -3.361 -1.771 1.00 0.00 H new ATOM 0 HA TYR B 28 0.700 -5.878 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -0.565 -3.955 0.199 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.275 -3.637 -1.371 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.596 -5.509 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -1.227 -5.827 1.529 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.491 -7.034 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -3.081 -7.402 2.032 1.00 0.00 H new ATOM 0 HH TYR B 28 -4.926 -8.398 1.273 1.00 0.00 H new ATOM 405 N CYS B 29 0.261 -3.554 -3.467 1.00 0.00 N ATOM 406 CA CYS B 29 -0.070 -3.233 -4.854 1.00 0.00 C ATOM 407 C CYS B 29 1.039 -2.426 -5.511 1.00 0.00 C ATOM 408 O CYS B 29 1.179 -2.471 -6.732 1.00 0.00 O ATOM 409 CB CYS B 29 -1.376 -2.427 -4.914 1.00 0.00 C ATOM 410 SG CYS B 29 -2.598 -2.923 -3.714 1.00 0.00 S ATOM 0 H CYS B 29 0.393 -2.720 -2.895 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.189 -4.174 -5.392 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.146 -1.372 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -1.803 -2.523 -5.912 1.00 0.00 H new ATOM 415 N LYS B 30 1.789 -1.670 -4.695 1.00 0.00 N ATOM 416 CA LYS B 30 2.757 -0.667 -5.096 1.00 0.00 C ATOM 417 C LYS B 30 2.243 0.138 -6.293 1.00 0.00 C ATOM 418 O LYS B 30 2.883 0.222 -7.340 1.00 0.00 O ATOM 419 CB LYS B 30 4.178 -1.251 -5.226 1.00 0.00 C ATOM 420 CG LYS B 30 4.312 -2.663 -5.806 1.00 0.00 C ATOM 421 CD LYS B 30 4.060 -3.776 -4.771 1.00 0.00 C ATOM 422 CE LYS B 30 3.700 -5.100 -5.453 1.00 0.00 C ATOM 423 NZ LYS B 30 3.286 -6.122 -4.472 1.00 0.00 N ATOM 0 H LYS B 30 1.724 -1.756 -3.681 1.00 0.00 H new ATOM 0 HA LYS B 30 2.867 0.069 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS B 30 4.764 -0.575 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.634 -1.249 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS B 30 3.608 -2.777 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS B 30 5.312 -2.784 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.950 -3.912 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS B 30 3.253 -3.478 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.894 -4.934 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.558 -5.464 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.409 -7.069 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.871 -6.039 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.286 -5.980 -4.223 1.00 0.00 H new ATOM 437 N GLU B 31 1.050 0.716 -6.100 1.00 0.00 N ATOM 438 CA GLU B 31 0.320 1.488 -7.093 1.00 0.00 C ATOM 439 C GLU B 31 0.796 2.944 -7.088 1.00 0.00 C ATOM 440 O GLU B 31 1.481 3.384 -6.166 1.00 0.00 O ATOM 441 CB GLU B 31 -1.187 1.357 -6.805 1.00 0.00 C ATOM 442 CG GLU B 31 -2.076 2.017 -7.870 1.00 0.00 C ATOM 443 CD GLU B 31 -3.531 1.578 -7.754 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.229 2.131 -6.877 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.920 0.691 -8.544 1.00 0.00 O ATOM 0 H GLU B 31 0.555 0.651 -5.211 1.00 0.00 H new ATOM 0 HA GLU B 31 0.510 1.104 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.444 0.300 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.403 1.804 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.016 3.101 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.700 1.766 -8.862 1.00 0.00 H new ATOM 452 N LYS B 32 0.413 3.666 -8.147 1.00 0.00 N ATOM 453 CA LYS B 32 0.700 5.061 -8.439 1.00 0.00 C ATOM 454 C LYS B 32 0.736 5.960 -7.201 1.00 0.00 C ATOM 455 O LYS B 32 1.737 6.639 -6.980 1.00 0.00 O ATOM 456 CB LYS B 32 -0.362 5.583 -9.414 1.00 0.00 C ATOM 457 CG LYS B 32 -0.322 4.880 -10.778 1.00 0.00 C ATOM 458 CD LYS B 32 -1.383 5.480 -11.708 1.00 0.00 C ATOM 459 CE LYS B 32 -1.367 4.772 -13.067 1.00 0.00 C ATOM 460 NZ LYS B 32 -2.393 5.320 -13.972 1.00 0.00 N ATOM 0 H LYS B 32 -0.155 3.245 -8.882 1.00 0.00 H new ATOM 0 HA LYS B 32 1.700 5.098 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.349 5.450 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -0.219 6.654 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS B 32 0.667 4.988 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.499 3.812 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -2.369 5.385 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -1.196 6.545 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -0.383 4.879 -13.523 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -1.538 3.705 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -2.356 4.819 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -3.334 5.195 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.215 6.333 -14.126 1.00 0.00 H new ATOM 474 N GLY B 33 -0.360 6.005 -6.429 1.00 0.00 N ATOM 475 CA GLY B 33 -0.504 6.989 -5.367 1.00 0.00 C ATOM 476 C GLY B 33 -1.404 6.550 -4.216 1.00 0.00 C ATOM 477 O GLY B 33 -2.289 7.305 -3.818 1.00 0.00 O ATOM 0 H GLY B 33 -1.152 5.370 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.484 7.224 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.903 7.909 -5.793 1.00 0.00 H new ATOM 481 N HIS B 34 -1.166 5.355 -3.660 1.00 0.00 N ATOM 482 CA HIS B 34 -1.779 4.937 -2.402 1.00 0.00 C ATOM 483 C HIS B 34 -0.778 4.066 -1.636 1.00 0.00 C ATOM 484 O HIS B 34 0.264 3.704 -2.186 1.00 0.00 O ATOM 485 CB HIS B 34 -3.168 4.306 -2.597 1.00 0.00 C ATOM 486 CG HIS B 34 -3.190 2.838 -2.943 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.658 2.296 -4.119 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.833 1.746 -2.208 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.516 0.962 -4.003 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.001 0.523 -2.845 1.00 0.00 N ATOM 0 H HIS B 34 -0.546 4.657 -4.071 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.993 5.811 -1.786 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.742 4.451 -1.682 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.684 4.852 -3.387 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.037 2.804 -4.919 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.447 1.826 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -3.800 0.286 -4.796 1.00 0.00 H new ATOM 498 N TRP B 35 -1.073 3.761 -0.365 1.00 0.00 N ATOM 499 CA TRP B 35 -0.157 3.074 0.541 1.00 0.00 C ATOM 500 C TRP B 35 -0.862 1.946 1.294 1.00 0.00 C ATOM 501 O TRP B 35 -2.089 1.910 1.296 1.00 0.00 O ATOM 502 CB TRP B 35 0.428 4.111 1.500 1.00 0.00 C ATOM 503 CG TRP B 35 1.840 3.894 1.920 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.847 3.518 1.105 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.438 4.081 3.230 1.00 0.00 C ATOM 506 NE1 TRP B 35 4.008 3.400 1.827 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.825 3.774 3.137 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.959 4.532 4.474 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.693 3.876 4.232 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.824 4.667 5.571 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.176 4.306 5.461 1.00 0.00 C ATOM 0 H TRP B 35 -1.969 3.990 0.064 1.00 0.00 H new ATOM 0 HA TRP B 35 0.647 2.606 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.357 5.092 1.029 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.195 4.141 2.394 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.754 3.337 0.044 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.895 3.076 1.441 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.913 4.777 4.586 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.739 3.628 4.131 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.446 5.052 6.507 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.820 4.360 6.327 1.00 0.00 H new ATOM 522 N ALA B 36 -0.118 1.044 1.960 1.00 0.00 N ATOM 523 CA ALA B 36 -0.740 -0.065 2.694 1.00 0.00 C ATOM 524 C ALA B 36 -1.649 0.421 3.837 1.00 0.00 C ATOM 525 O ALA B 36 -2.455 -0.363 4.337 1.00 0.00 O ATOM 526 CB ALA B 36 0.276 -1.135 3.123 1.00 0.00 C ATOM 0 H ALA B 36 0.901 1.063 2.003 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.405 -0.569 1.992 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.239 -1.931 3.661 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.762 -1.550 2.240 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.027 -0.684 3.772 1.00 0.00 H new ATOM 532 N LYS B 37 -1.560 1.707 4.221 1.00 0.00 N ATOM 533 CA LYS B 37 -2.514 2.360 5.110 1.00 0.00 C ATOM 534 C LYS B 37 -3.882 2.463 4.424 1.00 0.00 C ATOM 535 O LYS B 37 -4.892 1.992 4.942 1.00 0.00 O ATOM 536 CB LYS B 37 -2.059 3.791 5.449 1.00 0.00 C ATOM 537 CG LYS B 37 -1.097 3.885 6.634 1.00 0.00 C ATOM 538 CD LYS B 37 -0.937 5.361 7.035 1.00 0.00 C ATOM 539 CE LYS B 37 -0.113 5.523 8.316 1.00 0.00 C ATOM 540 NZ LYS B 37 0.093 6.943 8.658 1.00 0.00 N ATOM 0 H LYS B 37 -0.808 2.324 3.913 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.577 1.763 6.020 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.578 4.224 4.572 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.939 4.398 5.662 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.478 3.306 7.475 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.129 3.460 6.367 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.456 5.907 6.223 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.922 5.806 7.179 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -0.619 5.020 9.140 1.00 0.00 H new ATOM 0 HE3 LYS B 37 0.854 5.035 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 0.655 7.012 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 0.598 7.417 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.829 7.403 8.802 1.00 0.00 H new ATOM 554 N ASP B 38 -3.885 3.146 3.275 1.00 0.00 N ATOM 555 CA ASP B 38 -5.055 3.590 2.522 1.00 0.00 C ATOM 556 C ASP B 38 -5.671 2.499 1.641 1.00 0.00 C ATOM 557 O ASP B 38 -6.843 2.590 1.281 1.00 0.00 O ATOM 558 CB ASP B 38 -4.605 4.746 1.613 1.00 0.00 C ATOM 559 CG ASP B 38 -5.778 5.406 0.897 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.511 6.154 1.578 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.917 5.152 -0.320 1.00 0.00 O ATOM 0 H ASP B 38 -3.014 3.419 2.820 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.820 3.883 3.242 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.080 5.492 2.210 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.896 4.371 0.875 1.00 0.00 H new ATOM 566 N CYS B 39 -4.857 1.505 1.271 1.00 0.00 N ATOM 567 CA CYS B 39 -5.095 0.484 0.272 1.00 0.00 C ATOM 568 C CYS B 39 -6.563 0.057 0.109 1.00 0.00 C ATOM 569 O CYS B 39 -7.130 -0.535 1.027 1.00 0.00 O ATOM 570 CB CYS B 39 -4.213 -0.697 0.633 1.00 0.00 C ATOM 571 SG CYS B 39 -4.098 -1.941 -0.659 1.00 0.00 S ATOM 0 H CYS B 39 -3.941 1.394 1.705 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.846 0.901 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.212 -0.333 0.864 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.600 -1.163 1.539 1.00 0.00 H new ATOM 576 N PRO B 40 -7.183 0.342 -1.052 1.00 0.00 N ATOM 577 CA PRO B 40 -8.572 0.031 -1.329 1.00 0.00 C ATOM 578 C PRO B 40 -8.732 -1.394 -1.869 1.00 0.00 C ATOM 579 O PRO B 40 -9.806 -1.979 -1.747 1.00 0.00 O ATOM 580 CB PRO B 40 -8.989 1.068 -2.372 1.00 0.00 C ATOM 581 CG PRO B 40 -7.726 1.244 -3.208 1.00 0.00 C ATOM 582 CD PRO B 40 -6.607 1.045 -2.188 1.00 0.00 C ATOM 0 HA PRO B 40 -9.190 0.071 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.827 0.718 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.299 2.004 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.671 0.513 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.681 2.231 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.788 0.471 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.194 2.005 -1.878 1.00 0.00 H new ATOM 590 N LYS B 41 -7.670 -1.950 -2.468 1.00 0.00 N ATOM 591 CA LYS B 41 -7.623 -3.311 -2.978 1.00 0.00 C ATOM 592 C LYS B 41 -7.723 -4.270 -1.790 1.00 0.00 C ATOM 593 O LYS B 41 -8.484 -5.235 -1.798 1.00 0.00 O ATOM 594 CB LYS B 41 -6.281 -3.500 -3.697 1.00 0.00 C ATOM 595 CG LYS B 41 -5.979 -2.432 -4.761 1.00 0.00 C ATOM 596 CD LYS B 41 -6.486 -2.823 -6.150 1.00 0.00 C ATOM 597 CE LYS B 41 -6.108 -1.765 -7.192 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.650 -1.696 -7.397 1.00 0.00 N ATOM 0 H LYS B 41 -6.797 -1.442 -2.611 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.441 -3.507 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.481 -3.495 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.271 -4.482 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.437 -1.489 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -4.903 -2.263 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -6.065 -3.787 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.569 -2.943 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.598 -1.995 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.477 -0.791 -6.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.435 -0.981 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.186 -1.435 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.299 -2.623 -7.711 1.00 0.00 H new ATOM 612 N LYS B 42 -6.940 -3.943 -0.761 1.00 0.00 N ATOM 613 CA LYS B 42 -6.892 -4.548 0.551 1.00 0.00 C ATOM 614 C LYS B 42 -8.189 -4.224 1.300 1.00 0.00 C ATOM 615 O LYS B 42 -8.811 -3.201 1.010 1.00 0.00 O ATOM 616 CB LYS B 42 -5.668 -3.924 1.227 1.00 0.00 C ATOM 617 CG LYS B 42 -5.299 -4.349 2.641 1.00 0.00 C ATOM 618 CD LYS B 42 -4.229 -3.368 3.145 1.00 0.00 C ATOM 619 CE LYS B 42 -3.217 -3.985 4.101 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.837 -4.821 5.142 1.00 0.00 N ATOM 0 H LYS B 42 -6.268 -3.180 -0.842 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.808 -5.634 0.527 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -4.806 -4.122 0.590 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -5.815 -2.844 1.238 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.175 -4.330 3.290 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.919 -5.371 2.649 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.697 -2.956 2.287 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.723 -2.535 3.645 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -2.511 -4.589 3.532 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -2.644 -3.189 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.137 -5.030 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -4.642 -4.313 5.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.171 -5.711 4.720 1.00 0.00 H new ATOM 634 N PRO B 43 -8.615 -5.058 2.266 1.00 0.00 N ATOM 635 CA PRO B 43 -9.826 -4.822 3.038 1.00 0.00 C ATOM 636 C PRO B 43 -9.527 -3.801 4.143 1.00 0.00 C ATOM 637 O PRO B 43 -9.562 -4.118 5.332 1.00 0.00 O ATOM 638 CB PRO B 43 -10.228 -6.206 3.558 1.00 0.00 C ATOM 639 CG PRO B 43 -8.886 -6.911 3.749 1.00 0.00 C ATOM 640 CD PRO B 43 -8.009 -6.329 2.638 1.00 0.00 C ATOM 0 HA PRO B 43 -10.649 -4.391 2.468 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.784 -6.139 4.493 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.863 -6.735 2.847 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.467 -6.713 4.735 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.985 -7.992 3.656 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.986 -6.186 2.985 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.964 -7.004 1.783 1.00 0.00 H new ATOM 648 N ARG B 44 -9.209 -2.570 3.724 1.00 0.00 N ATOM 649 CA ARG B 44 -8.784 -1.465 4.569 1.00 0.00 C ATOM 650 C ARG B 44 -9.113 -0.156 3.837 1.00 0.00 C ATOM 651 O ARG B 44 -8.260 0.715 3.676 1.00 0.00 O ATOM 652 CB ARG B 44 -7.283 -1.622 4.865 1.00 0.00 C ATOM 653 CG ARG B 44 -6.810 -0.759 6.041 1.00 0.00 C ATOM 654 CD ARG B 44 -5.304 -0.941 6.259 1.00 0.00 C ATOM 655 NE ARG B 44 -4.844 -0.160 7.414 1.00 0.00 N ATOM 656 CZ ARG B 44 -3.576 -0.085 7.857 1.00 0.00 C ATOM 657 NH1 ARG B 44 -2.564 -0.649 7.186 1.00 0.00 N ATOM 658 NH2 ARG B 44 -3.306 0.574 8.990 1.00 0.00 N ATOM 0 H ARG B 44 -9.245 -2.313 2.738 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.304 -1.455 5.527 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -7.068 -2.669 5.080 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -6.713 -1.357 3.975 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.032 0.290 5.844 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.352 -1.035 6.945 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -5.080 -1.996 6.416 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -4.763 -0.630 5.366 1.00 0.00 H new ATOM 0 HE ARG B 44 -5.548 0.373 7.925 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -2.745 -1.151 6.317 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -1.612 -0.577 7.544 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -4.060 1.017 9.514 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -2.346 0.633 9.329 1.00 0.00 H new ATOM 672 N GLY B 45 -10.363 -0.036 3.374 1.00 0.00 N ATOM 673 CA GLY B 45 -10.833 1.105 2.607 1.00 0.00 C ATOM 674 C GLY B 45 -12.334 0.958 2.358 1.00 0.00 C ATOM 675 O GLY B 45 -13.122 1.552 3.092 1.00 0.00 O ATOM 0 H GLY B 45 -11.081 -0.744 3.528 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -10.630 2.030 3.147 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -10.299 1.166 1.659 1.00 0.00 H new ATOM 679 N PRO B 46 -12.749 0.151 1.365 1.00 0.00 N ATOM 680 CA PRO B 46 -14.145 -0.169 1.102 1.00 0.00 C ATOM 681 C PRO B 46 -14.634 -1.196 2.131 1.00 0.00 C ATOM 682 O PRO B 46 -14.898 -2.350 1.801 1.00 0.00 O ATOM 683 CB PRO B 46 -14.154 -0.712 -0.330 1.00 0.00 C ATOM 684 CG PRO B 46 -12.801 -1.414 -0.431 1.00 0.00 C ATOM 685 CD PRO B 46 -11.889 -0.501 0.390 1.00 0.00 C ATOM 0 HA PRO B 46 -14.818 0.684 1.191 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -14.982 -1.402 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -14.252 0.087 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -12.837 -2.424 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -12.465 -1.500 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -11.104 -1.075 0.883 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -11.395 0.233 -0.247 1.00 0.00 H new ATOM 693 N ARG B 47 -14.726 -0.769 3.395 1.00 0.00 N ATOM 694 CA ARG B 47 -15.020 -1.626 4.530 1.00 0.00 C ATOM 695 C ARG B 47 -15.639 -0.759 5.624 1.00 0.00 C ATOM 696 O ARG B 47 -14.926 -0.067 6.348 1.00 0.00 O ATOM 697 CB ARG B 47 -13.725 -2.316 4.983 1.00 0.00 C ATOM 698 CG ARG B 47 -13.980 -3.325 6.107 1.00 0.00 C ATOM 699 CD ARG B 47 -12.679 -4.063 6.431 1.00 0.00 C ATOM 700 NE ARG B 47 -12.881 -5.074 7.476 1.00 0.00 N ATOM 701 CZ ARG B 47 -11.913 -5.882 7.943 1.00 0.00 C ATOM 702 NH1 ARG B 47 -10.663 -5.804 7.463 1.00 0.00 N ATOM 703 NH2 ARG B 47 -12.202 -6.775 8.898 1.00 0.00 N ATOM 0 H ARG B 47 -14.593 0.208 3.655 1.00 0.00 H new ATOM 0 HA ARG B 47 -15.731 -2.412 4.275 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -13.269 -2.825 4.134 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.013 -1.564 5.324 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -14.351 -2.812 6.994 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -14.749 -4.036 5.805 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -12.296 -4.541 5.529 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.924 -3.347 6.757 1.00 0.00 H new ATOM 0 HE ARG B 47 -13.816 -5.170 7.873 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.438 -5.126 6.735 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.938 -6.423 7.826 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.151 -6.839 9.266 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.473 -7.391 9.257 1.00 0.00 H new ATOM 717 N GLY B 48 -16.974 -0.779 5.708 1.00 0.00 N ATOM 718 CA GLY B 48 -17.762 0.107 6.552 1.00 0.00 C ATOM 719 C GLY B 48 -18.941 0.640 5.735 1.00 0.00 C ATOM 720 O GLY B 48 -19.029 1.856 5.575 1.00 0.00 O ATOM 0 H GLY B 48 -17.546 -1.433 5.173 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -18.122 -0.429 7.430 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -17.147 0.932 6.912 1.00 0.00 H new ATOM 724 N PRO B 49 -19.808 -0.247 5.190 1.00 0.00 N ATOM 725 CA PRO B 49 -20.925 0.023 4.304 1.00 0.00 C ATOM 726 C PRO B 49 -20.623 1.209 3.416 1.00 0.00 C ATOM 727 O PRO B 49 -21.311 2.225 3.358 1.00 0.00 O ATOM 728 CB PRO B 49 -22.120 -0.023 5.241 1.00 0.00 C ATOM 729 CG PRO B 49 -21.704 -1.260 6.081 1.00 0.00 C ATOM 730 CD PRO B 49 -20.200 -1.478 5.794 1.00 0.00 C ATOM 0 HA PRO B 49 -21.153 -0.685 3.507 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -22.223 0.881 5.841 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -23.064 -0.166 4.716 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -21.878 -1.088 7.143 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -22.287 -2.137 5.800 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -19.639 -1.676 6.707 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -20.035 -2.325 5.128 1.00 0.00 H new ATOM 738 N ARG B 50 -19.483 0.960 2.767 1.00 0.00 N ATOM 739 CA ARG B 50 -18.621 1.792 1.986 1.00 0.00 C ATOM 740 C ARG B 50 -18.469 3.201 2.579 1.00 0.00 C ATOM 741 O ARG B 50 -19.327 4.049 2.338 1.00 0.00 O ATOM 742 CB ARG B 50 -19.063 1.805 0.516 1.00 0.00 C ATOM 743 CG ARG B 50 -18.098 2.634 -0.338 1.00 0.00 C ATOM 744 CD ARG B 50 -18.462 2.556 -1.823 1.00 0.00 C ATOM 745 NE ARG B 50 -17.615 3.464 -2.608 1.00 0.00 N ATOM 746 CZ ARG B 50 -17.813 4.785 -2.764 1.00 0.00 C ATOM 747 NH1 ARG B 50 -18.920 5.378 -2.294 1.00 0.00 N ATOM 748 NH2 ARG B 50 -16.880 5.523 -3.378 1.00 0.00 N ATOM 0 H ARG B 50 -19.103 0.014 2.797 1.00 0.00 H new ATOM 0 HA ARG B 50 -17.622 1.358 2.018 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -19.106 0.784 0.136 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -20.069 2.217 0.438 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -18.120 3.673 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -17.079 2.275 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -18.339 1.534 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -19.511 2.818 -1.961 1.00 0.00 H new ATOM 0 HE ARG B 50 -16.805 3.057 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -19.628 4.826 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -19.054 6.381 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -16.027 5.083 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -17.022 6.526 -3.501 1.00 0.00 H new ATOM 762 N PRO B 51 -17.377 3.490 3.310 1.00 0.00 N ATOM 763 CA PRO B 51 -17.126 4.797 3.899 1.00 0.00 C ATOM 764 C PRO B 51 -16.499 5.725 2.848 1.00 0.00 C ATOM 765 O PRO B 51 -15.409 6.257 3.047 1.00 0.00 O ATOM 766 CB PRO B 51 -16.188 4.501 5.073 1.00 0.00 C ATOM 767 CG PRO B 51 -15.323 3.368 4.523 1.00 0.00 C ATOM 768 CD PRO B 51 -16.301 2.572 3.655 1.00 0.00 C ATOM 0 HA PRO B 51 -18.024 5.313 4.240 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -15.592 5.372 5.346 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -16.736 4.198 5.965 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -14.484 3.748 3.940 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.904 2.757 5.322 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -15.808 2.195 2.759 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -16.686 1.707 4.195 1.00 0.00 H new ATOM 776 N GLN B 52 -17.199 5.898 1.719 1.00 0.00 N ATOM 777 CA GLN B 52 -16.759 6.628 0.539 1.00 0.00 C ATOM 778 C GLN B 52 -15.358 6.188 0.099 1.00 0.00 C ATOM 779 O GLN B 52 -14.381 6.916 0.269 1.00 0.00 O ATOM 780 CB GLN B 52 -16.902 8.143 0.765 1.00 0.00 C ATOM 781 CG GLN B 52 -16.618 8.993 -0.486 1.00 0.00 C ATOM 782 CD GLN B 52 -17.507 8.658 -1.686 1.00 0.00 C ATOM 783 OE1 GLN B 52 -18.629 8.180 -1.537 1.00 0.00 O ATOM 784 NE2 GLN B 52 -17.003 8.908 -2.896 1.00 0.00 N ATOM 0 H GLN B 52 -18.135 5.509 1.606 1.00 0.00 H new ATOM 0 HA GLN B 52 -17.409 6.382 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -17.913 8.354 1.113 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -16.221 8.447 1.560 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -16.748 10.045 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -15.575 8.861 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -16.068 9.305 -2.987 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -17.553 8.702 -3.730 1.00 0.00 H new ATOM 793 N THR B 53 -15.276 4.987 -0.484 1.00 0.00 N ATOM 794 CA THR B 53 -14.064 4.459 -1.091 1.00 0.00 C ATOM 795 C THR B 53 -14.474 3.642 -2.315 1.00 0.00 C ATOM 796 O THR B 53 -14.934 2.497 -2.118 1.00 0.00 O ATOM 797 CB THR B 53 -13.262 3.636 -0.068 1.00 0.00 C ATOM 798 OG1 THR B 53 -13.079 4.373 1.123 1.00 0.00 O ATOM 799 CG2 THR B 53 -11.889 3.263 -0.636 1.00 0.00 C ATOM 800 OXT THR B 53 -14.394 4.203 -3.429 1.00 0.00 O ATOM 0 H THR B 53 -16.069 4.348 -0.545 1.00 0.00 H new ATOM 0 HA THR B 53 -13.403 5.264 -1.411 1.00 0.00 H new ATOM 0 HB THR B 53 -13.825 2.728 0.147 1.00 0.00 H new ATOM 0 HG1 THR B 53 -12.569 3.836 1.765 1.00 0.00 H new ATOM 0 HG21 THR B 53 -11.336 2.681 0.101 1.00 0.00 H new ATOM 0 HG22 THR B 53 -12.019 2.671 -1.542 1.00 0.00 H new ATOM 0 HG23 THR B 53 -11.334 4.171 -0.872 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.520 -1.307 -2.113 1.00 0.00 ZN