USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 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 Set 1.1: A 47 TYR OH : rot 165:sc= 0.199 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 152:sc= 0.21 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0198 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00324 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 44 TYR OH : rot -112:sc= 0.362 USER MOD Single : A 49 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.744 -0.797 -2.065 1.00 0.00 N ATOM 2 CA GLY A 1 2.083 0.522 -2.566 1.00 0.00 C ATOM 3 C GLY A 1 3.518 0.905 -2.265 1.00 0.00 C ATOM 4 O GLY A 1 4.409 0.055 -2.268 1.00 0.00 O ATOM 0 H1 GLY A 1 1.235 -1.328 -2.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.614 -1.306 -1.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.139 -0.704 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.921 0.551 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.413 1.259 -2.123 1.00 0.00 H new ATOM 8 N SER A 2 3.745 2.189 -2.007 1.00 0.00 N ATOM 9 CA SER A 2 5.084 2.684 -1.708 1.00 0.00 C ATOM 10 C SER A 2 5.287 2.829 -0.203 1.00 0.00 C ATOM 11 O SER A 2 4.800 3.778 0.411 1.00 0.00 O ATOM 12 CB SER A 2 5.318 4.030 -2.398 1.00 0.00 C ATOM 13 OG SER A 2 4.288 4.312 -3.329 1.00 0.00 O ATOM 0 H SER A 2 3.019 2.905 -1.999 1.00 0.00 H new ATOM 0 HA SER A 2 5.805 1.959 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.364 4.822 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.281 4.018 -2.909 1.00 0.00 H new ATOM 0 HG SER A 2 4.460 5.178 -3.755 1.00 0.00 H new ATOM 19 N MET A 3 6.009 1.880 0.384 1.00 0.00 N ATOM 20 CA MET A 3 6.278 1.902 1.817 1.00 0.00 C ATOM 21 C MET A 3 7.545 2.695 2.121 1.00 0.00 C ATOM 22 O MET A 3 7.487 3.773 2.711 1.00 0.00 O ATOM 23 CB MET A 3 6.413 0.476 2.354 1.00 0.00 C ATOM 24 CG MET A 3 5.379 0.124 3.411 1.00 0.00 C ATOM 25 SD MET A 3 5.021 -1.642 3.471 1.00 0.00 S ATOM 26 CE MET A 3 3.394 -1.633 4.221 1.00 0.00 C ATOM 0 H MET A 3 6.418 1.087 -0.110 1.00 0.00 H new ATOM 0 HA MET A 3 5.438 2.391 2.311 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.326 -0.226 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.410 0.348 2.776 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.737 0.452 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.458 0.671 3.209 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.036 -2.657 4.325 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.449 -1.166 5.204 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.706 -1.070 3.590 1.00 0.00 H new ATOM 36 N GLU A 4 8.689 2.152 1.714 1.00 0.00 N ATOM 37 CA GLU A 4 9.970 2.810 1.944 1.00 0.00 C ATOM 38 C GLU A 4 9.937 4.253 1.449 1.00 0.00 C ATOM 39 O GLU A 4 10.453 5.157 2.106 1.00 0.00 O ATOM 40 CB GLU A 4 11.094 2.044 1.244 1.00 0.00 C ATOM 41 CG GLU A 4 10.754 1.626 -0.176 1.00 0.00 C ATOM 42 CD GLU A 4 11.945 1.050 -0.916 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.022 1.682 -0.887 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.801 -0.030 -1.525 1.00 0.00 O ATOM 0 H GLU A 4 8.754 1.260 1.224 1.00 0.00 H new ATOM 0 HA GLU A 4 10.159 2.817 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.989 2.666 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.335 1.155 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.954 0.886 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.374 2.488 -0.723 1.00 0.00 H new ATOM 51 N ARG A 5 9.329 4.460 0.286 1.00 0.00 N ATOM 52 CA ARG A 5 9.230 5.791 -0.299 1.00 0.00 C ATOM 53 C ARG A 5 8.347 6.696 0.555 1.00 0.00 C ATOM 54 O ARG A 5 8.634 7.882 0.724 1.00 0.00 O ATOM 55 CB ARG A 5 8.670 5.708 -1.720 1.00 0.00 C ATOM 56 CG ARG A 5 8.861 6.982 -2.526 1.00 0.00 C ATOM 57 CD ARG A 5 10.292 7.117 -3.024 1.00 0.00 C ATOM 58 NE ARG A 5 10.358 7.220 -4.479 1.00 0.00 N ATOM 59 CZ ARG A 5 11.492 7.362 -5.155 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.649 7.418 -4.511 1.00 0.00 N ATOM 61 NH2 ARG A 5 11.471 7.449 -6.479 1.00 0.00 N ATOM 0 H ARG A 5 8.897 3.722 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 5 10.232 6.219 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.151 4.882 -2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.606 5.477 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.178 6.983 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.606 7.845 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.750 8.000 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.873 6.256 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 5 9.485 7.181 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.670 7.352 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.518 7.527 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.583 7.407 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.343 7.558 -6.997 1.00 0.00 H new ATOM 75 N LEU A 6 7.271 6.130 1.090 1.00 0.00 N ATOM 76 CA LEU A 6 6.345 6.885 1.926 1.00 0.00 C ATOM 77 C LEU A 6 7.034 7.380 3.193 1.00 0.00 C ATOM 78 O LEU A 6 7.065 8.580 3.467 1.00 0.00 O ATOM 79 CB LEU A 6 5.137 6.020 2.293 1.00 0.00 C ATOM 80 CG LEU A 6 4.242 6.557 3.411 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.778 6.480 3.005 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.481 5.789 4.702 1.00 0.00 C ATOM 0 H LEU A 6 7.018 5.150 0.960 1.00 0.00 H new ATOM 0 HA LEU A 6 6.005 7.751 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.527 5.885 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.497 5.034 2.585 1.00 0.00 H new ATOM 0 HG LEU A 6 4.496 7.603 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.156 6.866 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.618 7.076 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.510 5.443 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.835 6.185 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.256 4.734 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.523 5.897 5.002 1.00 0.00 H new ATOM 94 N ARG A 7 7.588 6.448 3.962 1.00 0.00 N ATOM 95 CA ARG A 7 8.279 6.790 5.199 1.00 0.00 C ATOM 96 C ARG A 7 9.477 7.692 4.922 1.00 0.00 C ATOM 97 O ARG A 7 9.771 8.606 5.693 1.00 0.00 O ATOM 98 CB ARG A 7 8.739 5.520 5.919 1.00 0.00 C ATOM 99 CG ARG A 7 9.276 5.774 7.318 1.00 0.00 C ATOM 100 CD ARG A 7 8.905 4.647 8.270 1.00 0.00 C ATOM 101 NE ARG A 7 9.525 3.381 7.887 1.00 0.00 N ATOM 102 CZ ARG A 7 9.308 2.235 8.523 1.00 0.00 C ATOM 103 NH1 ARG A 7 8.490 2.197 9.566 1.00 0.00 N ATOM 104 NH2 ARG A 7 9.908 1.125 8.114 1.00 0.00 N ATOM 0 H ARG A 7 7.572 5.450 3.750 1.00 0.00 H new ATOM 0 HA ARG A 7 7.580 7.330 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.902 4.824 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.513 5.035 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.360 5.877 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.879 6.716 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.214 4.911 9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.822 4.529 8.288 1.00 0.00 H new ATOM 0 HE ARG A 7 10.159 3.377 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.026 3.049 9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.325 1.316 10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.536 1.151 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.741 0.245 8.603 1.00 0.00 H new ATOM 118 N ASP A 8 10.166 7.430 3.817 1.00 0.00 N ATOM 119 CA ASP A 8 11.332 8.218 3.437 1.00 0.00 C ATOM 120 C ASP A 8 10.934 9.654 3.108 1.00 0.00 C ATOM 121 O ASP A 8 11.418 10.601 3.727 1.00 0.00 O ATOM 122 CB ASP A 8 12.035 7.583 2.236 1.00 0.00 C ATOM 123 CG ASP A 8 13.315 8.305 1.866 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.762 9.162 2.656 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.870 8.014 0.786 1.00 0.00 O ATOM 0 H ASP A 8 9.937 6.677 3.168 1.00 0.00 H new ATOM 0 HA ASP A 8 12.019 8.235 4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.261 6.541 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.360 7.585 1.380 1.00 0.00 H new ATOM 130 N VAL A 9 10.049 9.807 2.128 1.00 0.00 N ATOM 131 CA VAL A 9 9.585 11.127 1.716 1.00 0.00 C ATOM 132 C VAL A 9 8.903 11.854 2.870 1.00 0.00 C ATOM 133 O VAL A 9 9.228 13.002 3.172 1.00 0.00 O ATOM 134 CB VAL A 9 8.605 11.033 0.532 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.098 12.415 0.148 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.269 10.351 -0.655 1.00 0.00 C ATOM 0 H VAL A 9 9.639 9.033 1.605 1.00 0.00 H new ATOM 0 HA VAL A 9 10.465 11.690 1.405 1.00 0.00 H new ATOM 0 HB VAL A 9 7.750 10.430 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.407 12.329 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.583 12.863 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.940 13.045 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.563 10.293 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.142 10.926 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.578 9.345 -0.371 1.00 0.00 H new ATOM 146 N ARG A 10 7.955 11.177 3.511 1.00 0.00 N ATOM 147 CA ARG A 10 7.226 11.759 4.631 1.00 0.00 C ATOM 148 C ARG A 10 8.188 12.267 5.701 1.00 0.00 C ATOM 149 O ARG A 10 8.096 13.414 6.137 1.00 0.00 O ATOM 150 CB ARG A 10 6.271 10.728 5.236 1.00 0.00 C ATOM 151 CG ARG A 10 5.561 11.217 6.488 1.00 0.00 C ATOM 152 CD ARG A 10 6.098 10.533 7.736 1.00 0.00 C ATOM 153 NE ARG A 10 5.443 9.251 7.982 1.00 0.00 N ATOM 154 CZ ARG A 10 4.183 9.135 8.386 1.00 0.00 C ATOM 155 NH1 ARG A 10 3.446 10.219 8.588 1.00 0.00 N ATOM 156 NH2 ARG A 10 3.658 7.934 8.589 1.00 0.00 N ATOM 0 H ARG A 10 7.674 10.226 3.274 1.00 0.00 H new ATOM 0 HA ARG A 10 6.648 12.604 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.526 10.454 4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.830 9.824 5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.686 12.296 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.491 11.027 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.172 10.377 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.954 11.185 8.597 1.00 0.00 H new ATOM 0 HE ARG A 10 5.983 8.398 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.847 11.144 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.479 10.127 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.222 7.098 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.690 7.846 8.899 1.00 0.00 H new ATOM 170 N GLU A 11 9.109 11.404 6.119 1.00 0.00 N ATOM 171 CA GLU A 11 10.086 11.765 7.139 1.00 0.00 C ATOM 172 C GLU A 11 10.995 12.888 6.648 1.00 0.00 C ATOM 173 O GLU A 11 11.304 13.820 7.390 1.00 0.00 O ATOM 174 CB GLU A 11 10.926 10.546 7.527 1.00 0.00 C ATOM 175 CG GLU A 11 11.728 10.741 8.803 1.00 0.00 C ATOM 176 CD GLU A 11 10.847 10.891 10.029 1.00 0.00 C ATOM 177 OE1 GLU A 11 10.292 9.873 10.490 1.00 0.00 O ATOM 178 OE2 GLU A 11 10.714 12.029 10.526 1.00 0.00 O ATOM 0 H GLU A 11 9.199 10.451 5.767 1.00 0.00 H new ATOM 0 HA GLU A 11 9.544 12.117 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.268 9.686 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.609 10.311 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.395 9.890 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.356 11.626 8.701 1.00 0.00 H new ATOM 185 N ARG A 12 11.421 12.790 5.393 1.00 0.00 N ATOM 186 CA ARG A 12 12.296 13.795 4.802 1.00 0.00 C ATOM 187 C ARG A 12 11.632 15.169 4.815 1.00 0.00 C ATOM 188 O ARG A 12 12.238 16.159 5.228 1.00 0.00 O ATOM 189 CB ARG A 12 12.660 13.406 3.368 1.00 0.00 C ATOM 190 CG ARG A 12 13.613 14.381 2.696 1.00 0.00 C ATOM 191 CD ARG A 12 14.942 13.722 2.364 1.00 0.00 C ATOM 192 NE ARG A 12 15.900 13.839 3.460 1.00 0.00 N ATOM 193 CZ ARG A 12 17.199 13.592 3.330 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.692 13.217 2.158 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.008 13.721 4.374 1.00 0.00 N ATOM 0 H ARG A 12 11.174 12.024 4.766 1.00 0.00 H new ATOM 0 HA ARG A 12 13.206 13.845 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.112 12.414 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.747 13.337 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.158 14.765 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.783 15.235 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.778 12.669 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.360 14.180 1.467 1.00 0.00 H new ATOM 0 HE ARG A 12 15.553 14.126 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.074 13.117 1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.690 13.028 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.633 14.010 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.005 13.531 4.273 1.00 0.00 H new ATOM 209 N LEU A 13 10.386 15.222 4.360 1.00 0.00 N ATOM 210 CA LEU A 13 9.639 16.475 4.318 1.00 0.00 C ATOM 211 C LEU A 13 9.444 17.039 5.722 1.00 0.00 C ATOM 212 O LEU A 13 9.678 18.224 5.962 1.00 0.00 O ATOM 213 CB LEU A 13 8.280 16.259 3.650 1.00 0.00 C ATOM 214 CG LEU A 13 7.910 17.250 2.546 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.583 16.869 1.909 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.852 18.667 3.098 1.00 0.00 C ATOM 0 H LEU A 13 9.871 14.412 4.015 1.00 0.00 H new ATOM 0 HA LEU A 13 10.214 17.193 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.260 15.253 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.509 16.298 4.419 1.00 0.00 H new ATOM 0 HG LEU A 13 8.682 17.213 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.336 17.586 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.660 15.871 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.800 16.876 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.587 19.359 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.101 18.720 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.826 18.939 3.505 1.00 0.00 H new ATOM 228 N GLN A 14 9.017 16.184 6.645 1.00 0.00 N ATOM 229 CA GLN A 14 8.793 16.598 8.025 1.00 0.00 C ATOM 230 C GLN A 14 10.029 17.287 8.594 1.00 0.00 C ATOM 231 O GLN A 14 10.006 18.482 8.885 1.00 0.00 O ATOM 232 CB GLN A 14 8.425 15.390 8.888 1.00 0.00 C ATOM 233 CG GLN A 14 7.099 14.751 8.507 1.00 0.00 C ATOM 234 CD GLN A 14 5.972 15.141 9.443 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.488 14.322 10.224 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.549 16.397 9.369 1.00 0.00 N ATOM 0 H GLN A 14 8.819 15.200 6.462 1.00 0.00 H new ATOM 0 HA GLN A 14 7.967 17.309 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.215 14.643 8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.383 15.699 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.839 15.043 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.209 13.667 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.980 17.042 8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.793 16.717 9.975 1.00 0.00 H new ATOM 245 N ALA A 15 11.106 16.524 8.749 1.00 0.00 N ATOM 246 CA ALA A 15 12.352 17.062 9.282 1.00 0.00 C ATOM 247 C ALA A 15 12.817 18.271 8.477 1.00 0.00 C ATOM 248 O ALA A 15 13.295 19.256 9.039 1.00 0.00 O ATOM 249 CB ALA A 15 13.429 15.987 9.294 1.00 0.00 C ATOM 0 H ALA A 15 11.141 15.532 8.513 1.00 0.00 H new ATOM 0 HA ALA A 15 12.169 17.389 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.354 16.403 9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.105 15.154 9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.601 15.633 8.278 1.00 0.00 H new ATOM 255 N TRP A 16 12.675 18.187 7.159 1.00 0.00 N ATOM 256 CA TRP A 16 13.082 19.275 6.277 1.00 0.00 C ATOM 257 C TRP A 16 12.484 20.600 6.734 1.00 0.00 C ATOM 258 O TRP A 16 13.176 21.437 7.313 1.00 0.00 O ATOM 259 CB TRP A 16 12.656 18.978 4.838 1.00 0.00 C ATOM 260 CG TRP A 16 12.808 20.153 3.919 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.828 20.737 3.167 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.009 20.885 3.655 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.349 21.788 2.451 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.685 21.900 2.733 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.327 20.784 4.108 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.631 22.804 2.258 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.265 21.681 3.635 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.914 22.681 2.719 1.00 0.00 C ATOM 0 H TRP A 16 12.282 17.378 6.678 1.00 0.00 H new ATOM 0 HA TRP A 16 14.168 19.356 6.318 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.249 18.147 4.455 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.615 18.655 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.796 20.419 3.139 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.826 22.388 1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.607 20.018 4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.362 23.575 1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.287 21.610 3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.670 23.368 2.370 1.00 0.00 H new ATOM 279 N GLU A 17 11.194 20.785 6.470 1.00 0.00 N ATOM 280 CA GLU A 17 10.503 22.010 6.855 1.00 0.00 C ATOM 281 C GLU A 17 10.632 22.259 8.356 1.00 0.00 C ATOM 282 O GLU A 17 10.651 23.404 8.806 1.00 0.00 O ATOM 283 CB GLU A 17 9.026 21.934 6.465 1.00 0.00 C ATOM 284 CG GLU A 17 8.249 20.874 7.228 1.00 0.00 C ATOM 285 CD GLU A 17 7.682 21.393 8.535 1.00 0.00 C ATOM 286 OE1 GLU A 17 7.359 22.597 8.605 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.561 20.595 9.488 1.00 0.00 O ATOM 0 H GLU A 17 10.607 20.102 5.991 1.00 0.00 H new ATOM 0 HA GLU A 17 10.969 22.841 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.563 22.906 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.951 21.729 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.435 20.506 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.903 20.026 7.431 1.00 0.00 H new ATOM 294 N ARG A 18 10.721 21.178 9.123 1.00 0.00 N ATOM 295 CA ARG A 18 10.846 21.278 10.572 1.00 0.00 C ATOM 296 C ARG A 18 12.004 22.194 10.956 1.00 0.00 C ATOM 297 O ARG A 18 11.796 23.328 11.386 1.00 0.00 O ATOM 298 CB ARG A 18 11.054 19.891 11.184 1.00 0.00 C ATOM 299 CG ARG A 18 9.770 19.242 11.674 1.00 0.00 C ATOM 300 CD ARG A 18 9.174 20.003 12.849 1.00 0.00 C ATOM 301 NE ARG A 18 7.836 20.506 12.552 1.00 0.00 N ATOM 302 CZ ARG A 18 6.758 19.733 12.487 1.00 0.00 C ATOM 303 NH1 ARG A 18 6.860 18.428 12.695 1.00 0.00 N ATOM 304 NH2 ARG A 18 5.574 20.265 12.212 1.00 0.00 N ATOM 0 H ARG A 18 10.709 20.223 8.765 1.00 0.00 H new ATOM 0 HA ARG A 18 9.923 21.705 10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.519 19.242 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.751 19.972 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.047 19.204 10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.971 18.213 11.970 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.131 19.349 13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.826 20.837 13.109 1.00 0.00 H new ATOM 0 HE ARG A 18 7.723 21.506 12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.768 18.015 12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.030 17.837 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.491 21.269 12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.747 19.670 12.162 1.00 0.00 H new ATOM 318 N ALA A 19 13.225 21.693 10.798 1.00 0.00 N ATOM 319 CA ALA A 19 14.416 22.467 11.126 1.00 0.00 C ATOM 320 C ALA A 19 14.547 23.686 10.219 1.00 0.00 C ATOM 321 O ALA A 19 15.019 24.740 10.643 1.00 0.00 O ATOM 322 CB ALA A 19 15.658 21.594 11.022 1.00 0.00 C ATOM 0 H ALA A 19 13.415 20.755 10.445 1.00 0.00 H new ATOM 0 HA ALA A 19 14.318 22.820 12.153 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.540 22.185 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.574 20.758 11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.751 21.213 10.005 1.00 0.00 H new ATOM 328 N PHE A 20 14.126 23.534 8.967 1.00 0.00 N ATOM 329 CA PHE A 20 14.198 24.622 7.999 1.00 0.00 C ATOM 330 C PHE A 20 13.584 25.897 8.568 1.00 0.00 C ATOM 331 O PHE A 20 14.276 26.894 8.774 1.00 0.00 O ATOM 332 CB PHE A 20 13.481 24.230 6.706 1.00 0.00 C ATOM 333 CG PHE A 20 12.903 25.400 5.962 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.732 26.323 5.344 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.531 25.578 5.881 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.203 27.401 4.660 1.00 0.00 C ATOM 337 CE2 PHE A 20 10.996 26.654 5.199 1.00 0.00 C ATOM 338 CZ PHE A 20 11.833 27.566 4.586 1.00 0.00 C ATOM 0 H PHE A 20 13.732 22.668 8.600 1.00 0.00 H new ATOM 0 HA PHE A 20 15.249 24.812 7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.182 23.707 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.681 23.529 6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.803 26.198 5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.872 24.867 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.860 28.114 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.925 26.782 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.417 28.406 4.050 1.00 0.00 H new ATOM 348 N ARG A 21 12.279 25.858 8.820 1.00 0.00 N ATOM 349 CA ARG A 21 11.571 27.010 9.363 1.00 0.00 C ATOM 350 C ARG A 21 12.032 27.310 10.787 1.00 0.00 C ATOM 351 O ARG A 21 11.702 28.354 11.349 1.00 0.00 O ATOM 352 CB ARG A 21 10.061 26.762 9.347 1.00 0.00 C ATOM 353 CG ARG A 21 9.253 27.879 9.987 1.00 0.00 C ATOM 354 CD ARG A 21 7.998 28.187 9.186 1.00 0.00 C ATOM 355 NE ARG A 21 6.822 28.322 10.042 1.00 0.00 N ATOM 356 CZ ARG A 21 5.602 28.575 9.580 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.399 28.720 8.278 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.582 28.684 10.422 1.00 0.00 N ATOM 0 H ARG A 21 11.691 25.041 8.656 1.00 0.00 H new ATOM 0 HA ARG A 21 11.798 27.872 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.733 26.633 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.849 25.828 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.977 27.594 11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.867 28.776 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.144 29.109 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.828 27.393 8.459 1.00 0.00 H new ATOM 0 HE ARG A 21 6.944 28.216 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.180 28.637 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.461 28.914 7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.734 28.574 11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.646 28.878 10.067 1.00 0.00 H new ATOM 372 N ARG A 22 12.795 26.387 11.363 1.00 0.00 N ATOM 373 CA ARG A 22 13.300 26.552 12.721 1.00 0.00 C ATOM 374 C ARG A 22 14.448 27.557 12.756 1.00 0.00 C ATOM 375 O ARG A 22 14.473 28.455 13.597 1.00 0.00 O ATOM 376 CB ARG A 22 13.768 25.208 13.280 1.00 0.00 C ATOM 377 CG ARG A 22 13.434 25.011 14.750 1.00 0.00 C ATOM 378 CD ARG A 22 13.169 23.548 15.070 1.00 0.00 C ATOM 379 NE ARG A 22 13.431 23.238 16.473 1.00 0.00 N ATOM 380 CZ ARG A 22 13.483 22.001 16.955 1.00 0.00 C ATOM 381 NH1 ARG A 22 13.291 20.964 16.152 1.00 0.00 N ATOM 382 NH2 ARG A 22 13.727 21.800 18.244 1.00 0.00 N ATOM 0 H ARG A 22 13.077 25.517 10.911 1.00 0.00 H new ATOM 0 HA ARG A 22 12.488 26.933 13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.312 24.405 12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.847 25.124 13.147 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.258 25.375 15.363 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.558 25.606 15.008 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.133 23.307 14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.795 22.919 14.437 1.00 0.00 H new ATOM 0 HE ARG A 22 13.582 24.014 17.118 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.103 21.114 15.161 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.332 20.016 16.525 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.875 22.595 18.865 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.767 20.850 18.613 1.00 0.00 H new ATOM 396 N GLN A 23 15.395 27.398 11.837 1.00 0.00 N ATOM 397 CA GLN A 23 16.546 28.290 11.765 1.00 0.00 C ATOM 398 C GLN A 23 16.331 29.370 10.709 1.00 0.00 C ATOM 399 O GLN A 23 16.623 30.544 10.940 1.00 0.00 O ATOM 400 CB GLN A 23 17.814 27.497 11.449 1.00 0.00 C ATOM 401 CG GLN A 23 17.725 26.693 10.162 1.00 0.00 C ATOM 402 CD GLN A 23 18.927 25.795 9.950 1.00 0.00 C ATOM 403 OE1 GLN A 23 18.947 24.648 10.398 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.939 26.312 9.263 1.00 0.00 N ATOM 0 H GLN A 23 15.388 26.660 11.133 1.00 0.00 H new ATOM 0 HA GLN A 23 16.661 28.773 12.735 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.655 28.186 11.379 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.024 26.820 12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.821 26.085 10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.633 27.376 9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.881 27.267 8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.775 25.754 9.088 1.00 0.00 H new ATOM 413 N ARG A 24 15.820 28.965 9.551 1.00 0.00 N ATOM 414 CA ARG A 24 15.568 29.898 8.459 1.00 0.00 C ATOM 415 C ARG A 24 14.366 30.785 8.769 1.00 0.00 C ATOM 416 O ARG A 24 14.517 31.966 9.081 1.00 0.00 O ATOM 417 CB ARG A 24 15.331 29.137 7.154 1.00 0.00 C ATOM 418 CG ARG A 24 16.494 28.246 6.748 1.00 0.00 C ATOM 419 CD ARG A 24 17.245 28.819 5.556 1.00 0.00 C ATOM 420 NE ARG A 24 18.465 29.513 5.959 1.00 0.00 N ATOM 421 CZ ARG A 24 19.088 30.406 5.197 1.00 0.00 C ATOM 422 NH1 ARG A 24 18.607 30.712 4.000 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.193 30.996 5.634 1.00 0.00 N ATOM 0 H ARG A 24 15.572 27.997 9.345 1.00 0.00 H new ATOM 0 HA ARG A 24 16.447 30.533 8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.435 28.525 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.137 29.853 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.177 28.132 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.123 27.251 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.497 28.014 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.596 29.510 5.017 1.00 0.00 H new ATOM 0 HE ARG A 24 18.860 29.301 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.757 30.262 3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.087 31.398 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.565 30.764 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.671 31.681 5.049 1.00 0.00 H new ATOM 437 N GLY A 25 13.172 30.208 8.679 1.00 0.00 N ATOM 438 CA GLY A 25 11.961 30.960 8.951 1.00 0.00 C ATOM 439 C GLY A 25 11.429 31.668 7.721 1.00 0.00 C ATOM 440 O GLY A 25 10.792 32.716 7.826 1.00 0.00 O ATOM 0 H GLY A 25 13.022 29.232 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.197 30.285 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.161 31.695 9.731 1.00 0.00 H new ATOM 444 N ARG A 26 11.691 31.095 6.551 1.00 0.00 N ATOM 445 CA ARG A 26 11.237 31.679 5.295 1.00 0.00 C ATOM 446 C ARG A 26 11.736 30.865 4.105 1.00 0.00 C ATOM 447 O ARG A 26 12.785 30.225 4.174 1.00 0.00 O ATOM 448 CB ARG A 26 11.720 33.125 5.176 1.00 0.00 C ATOM 449 CG ARG A 26 13.170 33.319 5.590 1.00 0.00 C ATOM 450 CD ARG A 26 13.753 34.592 4.997 1.00 0.00 C ATOM 451 NE ARG A 26 13.380 35.775 5.769 1.00 0.00 N ATOM 452 CZ ARG A 26 13.899 36.981 5.562 1.00 0.00 C ATOM 453 NH1 ARG A 26 14.806 37.162 4.612 1.00 0.00 N ATOM 454 NH2 ARG A 26 13.509 38.009 6.305 1.00 0.00 N ATOM 0 H ARG A 26 12.216 30.226 6.447 1.00 0.00 H new ATOM 0 HA ARG A 26 10.147 31.666 5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.598 33.456 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.087 33.763 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.237 33.359 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.760 32.462 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.839 34.511 4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.407 34.705 3.970 1.00 0.00 H new ATOM 0 HE ARG A 26 12.684 35.670 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.107 36.375 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.203 38.089 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.810 37.874 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.908 38.934 6.145 1.00 0.00 H new ATOM 468 N ARG A 27 10.976 30.894 3.014 1.00 0.00 N ATOM 469 CA ARG A 27 11.340 30.158 1.810 1.00 0.00 C ATOM 470 C ARG A 27 12.824 30.327 1.497 1.00 0.00 C ATOM 471 O ARG A 27 13.367 31.432 1.522 1.00 0.00 O ATOM 472 CB ARG A 27 10.500 30.633 0.623 1.00 0.00 C ATOM 473 CG ARG A 27 10.920 31.992 0.085 1.00 0.00 C ATOM 474 CD ARG A 27 11.805 31.856 -1.144 1.00 0.00 C ATOM 475 NE ARG A 27 11.274 32.594 -2.286 1.00 0.00 N ATOM 476 CZ ARG A 27 10.261 32.165 -3.032 1.00 0.00 C ATOM 477 NH1 ARG A 27 9.674 31.008 -2.756 1.00 0.00 N ATOM 478 NH2 ARG A 27 9.834 32.893 -4.055 1.00 0.00 N ATOM 0 H ARG A 27 10.105 31.419 2.940 1.00 0.00 H new ATOM 0 HA ARG A 27 11.142 29.101 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.569 29.897 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.453 30.678 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.034 32.575 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.454 32.542 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.806 32.219 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.901 30.802 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 27 11.704 33.488 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.000 30.446 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.897 30.681 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.283 33.783 -4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.057 32.563 -4.627 1.00 0.00 H new ATOM 492 N PRO A 28 13.497 29.207 1.195 1.00 0.00 N ATOM 493 CA PRO A 28 14.927 29.205 0.872 1.00 0.00 C ATOM 494 C PRO A 28 15.217 29.859 -0.475 1.00 0.00 C ATOM 495 O PRO A 28 14.337 30.467 -1.083 1.00 0.00 O ATOM 496 CB PRO A 28 15.279 27.716 0.830 1.00 0.00 C ATOM 497 CG PRO A 28 13.996 27.032 0.504 1.00 0.00 C ATOM 498 CD PRO A 28 12.913 27.856 1.146 1.00 0.00 C ATOM 0 HA PRO A 28 15.510 29.774 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.040 27.510 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.677 27.376 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.851 26.968 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.989 26.012 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.993 27.837 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.665 27.489 2.142 1.00 0.00 H new ATOM 506 N SER A 29 16.458 29.730 -0.935 1.00 0.00 N ATOM 507 CA SER A 29 16.865 30.312 -2.208 1.00 0.00 C ATOM 508 C SER A 29 17.401 29.238 -3.150 1.00 0.00 C ATOM 509 O SER A 29 17.580 28.086 -2.755 1.00 0.00 O ATOM 510 CB SER A 29 17.930 31.387 -1.984 1.00 0.00 C ATOM 511 OG SER A 29 17.348 32.678 -1.927 1.00 0.00 O ATOM 0 H SER A 29 17.198 29.228 -0.445 1.00 0.00 H new ATOM 0 HA SER A 29 15.988 30.769 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.466 31.185 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.663 31.350 -2.790 1.00 0.00 H new ATOM 0 HG SER A 29 18.049 33.347 -1.781 1.00 0.00 H new ATOM 517 N GLN A 30 17.654 29.625 -4.396 1.00 0.00 N ATOM 518 CA GLN A 30 18.168 28.695 -5.394 1.00 0.00 C ATOM 519 C GLN A 30 19.512 28.119 -4.961 1.00 0.00 C ATOM 520 O GLN A 30 19.939 27.075 -5.455 1.00 0.00 O ATOM 521 CB GLN A 30 18.312 29.395 -6.747 1.00 0.00 C ATOM 522 CG GLN A 30 19.434 30.420 -6.785 1.00 0.00 C ATOM 523 CD GLN A 30 19.474 31.194 -8.088 1.00 0.00 C ATOM 524 OE1 GLN A 30 18.804 32.217 -8.236 1.00 0.00 O ATOM 525 NE2 GLN A 30 20.261 30.709 -9.041 1.00 0.00 N ATOM 0 H GLN A 30 17.512 30.575 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 30 17.456 27.875 -5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 30 18.490 28.645 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 30 17.372 29.888 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.312 31.117 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.388 29.914 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.798 29.858 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.328 31.187 -9.939 1.00 0.00 H new ATOM 534 N ASP A 31 20.173 28.805 -4.035 1.00 0.00 N ATOM 535 CA ASP A 31 21.468 28.361 -3.534 1.00 0.00 C ATOM 536 C ASP A 31 21.310 27.156 -2.611 1.00 0.00 C ATOM 537 O ASP A 31 22.000 26.148 -2.766 1.00 0.00 O ATOM 538 CB ASP A 31 22.169 29.499 -2.791 1.00 0.00 C ATOM 539 CG ASP A 31 22.717 30.554 -3.733 1.00 0.00 C ATOM 540 OD1 ASP A 31 21.907 31.249 -4.380 1.00 0.00 O ATOM 541 OD2 ASP A 31 23.956 30.683 -3.823 1.00 0.00 O ATOM 0 H ASP A 31 19.833 29.671 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 31 22.078 28.065 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.467 29.964 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.984 29.091 -2.193 1.00 0.00 H new ATOM 546 N ASP A 32 20.399 27.268 -1.652 1.00 0.00 N ATOM 547 CA ASP A 32 20.150 26.189 -0.703 1.00 0.00 C ATOM 548 C ASP A 32 19.312 25.086 -1.343 1.00 0.00 C ATOM 549 O ASP A 32 19.384 23.925 -0.941 1.00 0.00 O ATOM 550 CB ASP A 32 19.443 26.727 0.542 1.00 0.00 C ATOM 551 CG ASP A 32 20.053 26.203 1.826 1.00 0.00 C ATOM 552 OD1 ASP A 32 20.035 24.971 2.033 1.00 0.00 O ATOM 553 OD2 ASP A 32 20.550 27.024 2.625 1.00 0.00 O ATOM 0 H ASP A 32 19.820 28.096 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 32 21.111 25.767 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.488 27.816 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.389 26.452 0.505 1.00 0.00 H new ATOM 558 N VAL A 33 18.515 25.458 -2.339 1.00 0.00 N ATOM 559 CA VAL A 33 17.662 24.502 -3.035 1.00 0.00 C ATOM 560 C VAL A 33 18.465 23.673 -4.032 1.00 0.00 C ATOM 561 O VAL A 33 18.241 22.472 -4.178 1.00 0.00 O ATOM 562 CB VAL A 33 16.515 25.210 -3.779 1.00 0.00 C ATOM 563 CG1 VAL A 33 15.709 24.209 -4.594 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.621 25.951 -2.796 1.00 0.00 C ATOM 0 H VAL A 33 18.442 26.416 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 33 17.240 23.844 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 33 16.945 25.939 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.903 24.727 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.359 23.727 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.287 23.455 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.815 26.446 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.197 25.243 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.209 26.696 -2.260 1.00 0.00 H new ATOM 574 N GLU A 34 19.402 24.324 -4.715 1.00 0.00 N ATOM 575 CA GLU A 34 20.238 23.646 -5.699 1.00 0.00 C ATOM 576 C GLU A 34 21.308 22.801 -5.013 1.00 0.00 C ATOM 577 O GLU A 34 21.967 21.980 -5.650 1.00 0.00 O ATOM 578 CB GLU A 34 20.897 24.666 -6.629 1.00 0.00 C ATOM 579 CG GLU A 34 21.718 24.034 -7.741 1.00 0.00 C ATOM 580 CD GLU A 34 23.196 24.354 -7.628 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.537 25.549 -7.509 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.012 23.409 -7.659 1.00 0.00 O ATOM 0 H GLU A 34 19.601 25.318 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 34 19.601 22.986 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.124 25.294 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 34 21.541 25.320 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.581 22.953 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.347 24.383 -8.705 1.00 0.00 H new ATOM 589 N ALA A 35 21.474 23.009 -3.711 1.00 0.00 N ATOM 590 CA ALA A 35 22.462 22.266 -2.939 1.00 0.00 C ATOM 591 C ALA A 35 22.022 20.821 -2.731 1.00 0.00 C ATOM 592 O ALA A 35 22.848 19.937 -2.503 1.00 0.00 O ATOM 593 CB ALA A 35 22.703 22.944 -1.599 1.00 0.00 C ATOM 0 H ALA A 35 20.937 23.686 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 35 23.395 22.257 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.443 22.378 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.070 23.957 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.769 22.983 -1.038 1.00 0.00 H new ATOM 599 N ALA A 36 20.716 20.587 -2.809 1.00 0.00 N ATOM 600 CA ALA A 36 20.167 19.249 -2.631 1.00 0.00 C ATOM 601 C ALA A 36 20.180 18.471 -3.942 1.00 0.00 C ATOM 602 O ALA A 36 20.310 19.038 -5.027 1.00 0.00 O ATOM 603 CB ALA A 36 18.752 19.328 -2.076 1.00 0.00 C ATOM 0 H ALA A 36 20.018 21.308 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 36 20.796 18.717 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.355 18.321 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.767 19.837 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.120 19.882 -2.769 1.00 0.00 H new ATOM 609 N PRO A 37 20.043 17.140 -3.843 1.00 0.00 N ATOM 610 CA PRO A 37 20.036 16.256 -5.012 1.00 0.00 C ATOM 611 C PRO A 37 18.777 16.421 -5.856 1.00 0.00 C ATOM 612 O PRO A 37 17.916 17.244 -5.548 1.00 0.00 O ATOM 613 CB PRO A 37 20.088 14.855 -4.397 1.00 0.00 C ATOM 614 CG PRO A 37 19.500 15.016 -3.037 1.00 0.00 C ATOM 615 CD PRO A 37 19.883 16.397 -2.582 1.00 0.00 C ATOM 0 HA PRO A 37 20.862 16.470 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.520 14.140 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 37 21.111 14.483 -4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.416 14.900 -3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.884 14.259 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.113 16.840 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.806 16.387 -2.002 1.00 0.00 H new ATOM 623 N GLU A 38 18.678 15.633 -6.923 1.00 0.00 N ATOM 624 CA GLU A 38 17.523 15.693 -7.811 1.00 0.00 C ATOM 625 C GLU A 38 16.238 15.368 -7.056 1.00 0.00 C ATOM 626 O GLU A 38 15.361 16.218 -6.908 1.00 0.00 O ATOM 627 CB GLU A 38 17.701 14.722 -8.981 1.00 0.00 C ATOM 628 CG GLU A 38 16.881 15.090 -10.206 1.00 0.00 C ATOM 629 CD GLU A 38 17.298 14.314 -11.441 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.874 13.217 -11.286 1.00 0.00 O ATOM 631 OE2 GLU A 38 17.049 14.806 -12.562 1.00 0.00 O ATOM 0 H GLU A 38 19.383 14.947 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 38 17.448 16.709 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.755 14.687 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.423 13.719 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.827 14.903 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.984 16.158 -10.400 1.00 0.00 H new ATOM 638 N GLU A 39 16.134 14.130 -6.582 1.00 0.00 N ATOM 639 CA GLU A 39 14.956 13.692 -5.843 1.00 0.00 C ATOM 640 C GLU A 39 14.561 14.721 -4.788 1.00 0.00 C ATOM 641 O GLU A 39 13.434 15.218 -4.778 1.00 0.00 O ATOM 642 CB GLU A 39 15.217 12.338 -5.179 1.00 0.00 C ATOM 643 CG GLU A 39 15.287 11.182 -6.162 1.00 0.00 C ATOM 644 CD GLU A 39 16.673 10.573 -6.249 1.00 0.00 C ATOM 645 OE1 GLU A 39 17.646 11.337 -6.416 1.00 0.00 O ATOM 646 OE2 GLU A 39 16.784 9.333 -6.149 1.00 0.00 O ATOM 0 H GLU A 39 16.851 13.413 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 39 14.133 13.589 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.154 12.389 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.428 12.140 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.574 10.413 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.985 11.531 -7.149 1.00 0.00 H new ATOM 653 N THR A 40 15.498 15.037 -3.899 1.00 0.00 N ATOM 654 CA THR A 40 15.249 16.005 -2.838 1.00 0.00 C ATOM 655 C THR A 40 14.793 17.342 -3.410 1.00 0.00 C ATOM 656 O THR A 40 13.822 17.932 -2.935 1.00 0.00 O ATOM 657 CB THR A 40 16.507 16.230 -1.977 1.00 0.00 C ATOM 658 OG1 THR A 40 16.915 14.998 -1.374 1.00 0.00 O ATOM 659 CG2 THR A 40 16.243 17.268 -0.896 1.00 0.00 C ATOM 0 H THR A 40 16.436 14.637 -3.893 1.00 0.00 H new ATOM 0 HA THR A 40 14.458 15.592 -2.212 1.00 0.00 H new ATOM 0 HB THR A 40 17.303 16.597 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.716 15.150 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.145 17.411 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.961 18.213 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.433 16.925 -0.252 1.00 0.00 H new ATOM 667 N ARG A 41 15.498 17.816 -4.432 1.00 0.00 N ATOM 668 CA ARG A 41 15.164 19.084 -5.068 1.00 0.00 C ATOM 669 C ARG A 41 13.690 19.126 -5.458 1.00 0.00 C ATOM 670 O ARG A 41 13.017 20.140 -5.275 1.00 0.00 O ATOM 671 CB ARG A 41 16.037 19.304 -6.305 1.00 0.00 C ATOM 672 CG ARG A 41 17.333 20.042 -6.013 1.00 0.00 C ATOM 673 CD ARG A 41 18.249 20.060 -7.227 1.00 0.00 C ATOM 674 NE ARG A 41 18.445 21.412 -7.744 1.00 0.00 N ATOM 675 CZ ARG A 41 19.069 21.679 -8.886 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.554 20.691 -9.626 1.00 0.00 N ATOM 677 NH2 ARG A 41 19.208 22.935 -9.290 1.00 0.00 N ATOM 0 H ARG A 41 16.304 17.341 -4.837 1.00 0.00 H new ATOM 0 HA ARG A 41 15.354 19.882 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.272 18.337 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.468 19.866 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.110 21.065 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.844 19.565 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.214 19.631 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.826 19.430 -8.010 1.00 0.00 H new ATOM 0 HE ARG A 41 18.083 22.194 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.448 19.724 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.033 20.898 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.836 23.697 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.687 23.139 -10.167 1.00 0.00 H new ATOM 691 N ALA A 42 13.194 18.017 -5.998 1.00 0.00 N ATOM 692 CA ALA A 42 11.800 17.926 -6.413 1.00 0.00 C ATOM 693 C ALA A 42 10.864 18.007 -5.212 1.00 0.00 C ATOM 694 O ALA A 42 9.945 18.827 -5.182 1.00 0.00 O ATOM 695 CB ALA A 42 11.562 16.636 -7.184 1.00 0.00 C ATOM 0 H ALA A 42 13.738 17.169 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 42 11.585 18.772 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.517 16.581 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.198 16.618 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.800 15.783 -6.549 1.00 0.00 H new ATOM 701 N LEU A 43 11.102 17.152 -4.223 1.00 0.00 N ATOM 702 CA LEU A 43 10.279 17.127 -3.019 1.00 0.00 C ATOM 703 C LEU A 43 10.280 18.488 -2.330 1.00 0.00 C ATOM 704 O LEU A 43 9.223 19.050 -2.041 1.00 0.00 O ATOM 705 CB LEU A 43 10.785 16.054 -2.054 1.00 0.00 C ATOM 706 CG LEU A 43 11.086 14.686 -2.669 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.356 14.101 -2.073 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.912 13.740 -2.463 1.00 0.00 C ATOM 0 H LEU A 43 11.858 16.467 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 43 9.256 16.890 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.692 16.423 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.042 15.921 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 43 11.239 14.815 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.554 13.128 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.193 14.770 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.233 13.985 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.143 12.772 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.728 13.616 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.023 14.154 -2.939 1.00 0.00 H new ATOM 720 N TYR A 44 11.473 19.013 -2.071 1.00 0.00 N ATOM 721 CA TYR A 44 11.612 20.308 -1.416 1.00 0.00 C ATOM 722 C TYR A 44 10.852 21.389 -2.179 1.00 0.00 C ATOM 723 O TYR A 44 10.001 22.079 -1.618 1.00 0.00 O ATOM 724 CB TYR A 44 13.089 20.690 -1.303 1.00 0.00 C ATOM 725 CG TYR A 44 13.824 19.948 -0.211 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.239 18.867 0.438 1.00 0.00 C ATOM 727 CD2 TYR A 44 15.105 20.326 0.172 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.907 18.187 1.437 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.781 19.650 1.170 1.00 0.00 C ATOM 730 CZ TYR A 44 15.178 18.582 1.799 1.00 0.00 C ATOM 731 OH TYR A 44 15.848 17.905 2.793 1.00 0.00 O ATOM 0 H TYR A 44 12.357 18.561 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 44 11.187 20.228 -0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.580 20.496 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.165 21.761 -1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.245 18.553 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.581 21.162 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.437 17.350 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.776 19.957 1.456 1.00 0.00 H new ATOM 0 HH TYR A 44 15.943 18.485 3.577 1.00 0.00 H new ATOM 741 N ARG A 45 11.167 21.530 -3.463 1.00 0.00 N ATOM 742 CA ARG A 45 10.515 22.526 -4.305 1.00 0.00 C ATOM 743 C ARG A 45 9.006 22.307 -4.338 1.00 0.00 C ATOM 744 O ARG A 45 8.238 23.242 -4.562 1.00 0.00 O ATOM 745 CB ARG A 45 11.081 22.473 -5.725 1.00 0.00 C ATOM 746 CG ARG A 45 12.355 23.282 -5.904 1.00 0.00 C ATOM 747 CD ARG A 45 12.062 24.668 -6.456 1.00 0.00 C ATOM 748 NE ARG A 45 12.251 25.709 -5.450 1.00 0.00 N ATOM 749 CZ ARG A 45 12.314 27.005 -5.736 1.00 0.00 C ATOM 750 NH1 ARG A 45 12.205 27.416 -6.991 1.00 0.00 N ATOM 751 NH2 ARG A 45 12.487 27.892 -4.764 1.00 0.00 N ATOM 0 H ARG A 45 11.870 20.967 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 45 10.712 23.510 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.280 21.434 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.327 22.840 -6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.868 23.372 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.030 22.756 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.714 24.864 -7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.037 24.702 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 45 12.340 25.426 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.072 26.737 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.254 28.412 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.572 27.579 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.535 28.887 -4.984 1.00 0.00 H new ATOM 765 N GLU A 46 8.588 21.065 -4.113 1.00 0.00 N ATOM 766 CA GLU A 46 7.170 20.724 -4.119 1.00 0.00 C ATOM 767 C GLU A 46 6.456 21.348 -2.924 1.00 0.00 C ATOM 768 O GLU A 46 5.528 22.141 -3.087 1.00 0.00 O ATOM 769 CB GLU A 46 6.989 19.205 -4.099 1.00 0.00 C ATOM 770 CG GLU A 46 5.588 18.754 -4.478 1.00 0.00 C ATOM 771 CD GLU A 46 5.592 17.625 -5.490 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.837 16.469 -5.089 1.00 0.00 O ATOM 773 OE2 GLU A 46 5.349 17.899 -6.685 1.00 0.00 O ATOM 0 H GLU A 46 9.210 20.279 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 46 6.730 21.123 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.705 18.753 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.224 18.833 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.059 18.431 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.036 19.601 -4.886 1.00 0.00 H new ATOM 780 N TYR A 47 6.894 20.985 -1.724 1.00 0.00 N ATOM 781 CA TYR A 47 6.295 21.506 -0.502 1.00 0.00 C ATOM 782 C TYR A 47 6.604 22.990 -0.333 1.00 0.00 C ATOM 783 O TYR A 47 5.854 23.723 0.312 1.00 0.00 O ATOM 784 CB TYR A 47 6.803 20.727 0.713 1.00 0.00 C ATOM 785 CG TYR A 47 6.228 21.209 2.025 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.897 20.980 2.350 1.00 0.00 C ATOM 787 CD2 TYR A 47 7.017 21.894 2.942 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.368 21.419 3.548 1.00 0.00 C ATOM 789 CE2 TYR A 47 6.497 22.336 4.143 1.00 0.00 C ATOM 790 CZ TYR A 47 5.172 22.097 4.441 1.00 0.00 C ATOM 791 OH TYR A 47 4.649 22.535 5.636 1.00 0.00 O ATOM 0 H TYR A 47 7.662 20.332 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 47 5.214 21.385 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.560 19.672 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.890 20.801 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.265 20.449 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.055 22.084 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.331 21.233 3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.125 22.866 4.844 1.00 0.00 H new ATOM 0 HH TYR A 47 5.379 22.774 6.245 1.00 0.00 H new ATOM 801 N ARG A 48 7.715 23.427 -0.919 1.00 0.00 N ATOM 802 CA ARG A 48 8.125 24.823 -0.834 1.00 0.00 C ATOM 803 C ARG A 48 7.262 25.699 -1.737 1.00 0.00 C ATOM 804 O ARG A 48 6.808 26.770 -1.332 1.00 0.00 O ATOM 805 CB ARG A 48 9.598 24.968 -1.222 1.00 0.00 C ATOM 806 CG ARG A 48 10.560 24.637 -0.093 1.00 0.00 C ATOM 807 CD ARG A 48 10.428 25.622 1.058 1.00 0.00 C ATOM 808 NE ARG A 48 9.511 25.141 2.087 1.00 0.00 N ATOM 809 CZ ARG A 48 8.870 25.941 2.933 1.00 0.00 C ATOM 810 NH1 ARG A 48 9.045 27.253 2.871 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.051 25.427 3.842 1.00 0.00 N ATOM 0 H ARG A 48 8.347 22.834 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 48 7.993 25.152 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.808 24.316 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.779 25.990 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.366 23.627 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.583 24.650 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.409 25.797 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.075 26.580 0.677 1.00 0.00 H new ATOM 0 HE ARG A 48 9.354 24.136 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.673 27.651 2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.552 27.865 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.913 24.418 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.559 26.041 4.491 1.00 0.00 H new ATOM 825 N THR A 49 7.039 25.238 -2.964 1.00 0.00 N ATOM 826 CA THR A 49 6.232 25.979 -3.925 1.00 0.00 C ATOM 827 C THR A 49 4.767 26.008 -3.506 1.00 0.00 C ATOM 828 O THR A 49 4.089 27.026 -3.649 1.00 0.00 O ATOM 829 CB THR A 49 6.339 25.371 -5.336 1.00 0.00 C ATOM 830 OG1 THR A 49 7.690 25.453 -5.803 1.00 0.00 O ATOM 831 CG2 THR A 49 5.417 26.093 -6.307 1.00 0.00 C ATOM 0 H THR A 49 7.407 24.354 -3.316 1.00 0.00 H new ATOM 0 HA THR A 49 6.621 26.997 -3.946 1.00 0.00 H new ATOM 0 HB THR A 49 6.037 24.325 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.160 24.620 -5.591 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.510 25.646 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.386 26.005 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.694 27.146 -6.357 1.00 0.00 H new ATOM 839 N LEU A 50 4.282 24.884 -2.988 1.00 0.00 N ATOM 840 CA LEU A 50 2.896 24.781 -2.547 1.00 0.00 C ATOM 841 C LEU A 50 2.664 25.601 -1.282 1.00 0.00 C ATOM 842 O LEU A 50 1.668 26.315 -1.166 1.00 0.00 O ATOM 843 CB LEU A 50 2.528 23.317 -2.295 1.00 0.00 C ATOM 844 CG LEU A 50 1.134 22.887 -2.752 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.063 23.659 -1.998 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.980 23.085 -4.253 1.00 0.00 C ATOM 0 H LEU A 50 4.829 24.032 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 50 2.259 25.179 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.263 22.687 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.615 23.120 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 50 1.011 21.827 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.922 23.339 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.160 23.466 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.183 24.726 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.018 22.774 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.123 24.137 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.724 22.486 -4.777 1.00 0.00 H new ATOM 858 N LYS A 51 3.591 25.495 -0.337 1.00 0.00 N ATOM 859 CA LYS A 51 3.491 26.229 0.919 1.00 0.00 C ATOM 860 C LYS A 51 3.544 27.734 0.676 1.00 0.00 C ATOM 861 O LYS A 51 2.714 28.484 1.189 1.00 0.00 O ATOM 862 CB LYS A 51 4.619 25.815 1.867 1.00 0.00 C ATOM 863 CG LYS A 51 4.567 26.512 3.216 1.00 0.00 C ATOM 864 CD LYS A 51 4.587 25.513 4.361 1.00 0.00 C ATOM 865 CE LYS A 51 4.818 26.202 5.697 1.00 0.00 C ATOM 866 NZ LYS A 51 4.229 25.431 6.827 1.00 0.00 N ATOM 0 H LYS A 51 4.421 24.907 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 51 2.532 25.986 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.574 24.737 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.577 26.029 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.415 27.190 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.664 27.120 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.642 24.971 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.372 24.777 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.888 26.327 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.381 27.200 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.766 25.624 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.238 25.716 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.271 24.414 6.613 1.00 0.00 H new ATOM 880 N ARG A 52 4.523 28.167 -0.111 1.00 0.00 N ATOM 881 CA ARG A 52 4.684 29.582 -0.422 1.00 0.00 C ATOM 882 C ARG A 52 3.476 30.110 -1.191 1.00 0.00 C ATOM 883 O ARG A 52 2.857 31.099 -0.796 1.00 0.00 O ATOM 884 CB ARG A 52 5.958 29.806 -1.238 1.00 0.00 C ATOM 885 CG ARG A 52 7.180 30.112 -0.388 1.00 0.00 C ATOM 886 CD ARG A 52 7.073 31.480 0.269 1.00 0.00 C ATOM 887 NE ARG A 52 7.579 32.543 -0.594 1.00 0.00 N ATOM 888 CZ ARG A 52 7.555 33.830 -0.267 1.00 0.00 C ATOM 889 NH1 ARG A 52 7.052 34.211 0.899 1.00 0.00 N ATOM 890 NH2 ARG A 52 8.035 34.739 -1.106 1.00 0.00 N ATOM 0 H ARG A 52 5.217 27.558 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 52 4.763 30.128 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.156 28.917 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.794 30.629 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.292 29.346 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.075 30.074 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.031 31.681 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.631 31.477 1.205 1.00 0.00 H new ATOM 0 HE ARG A 52 7.973 32.283 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.683 33.515 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.035 35.200 1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.423 34.450 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.016 35.727 -0.853 1.00 0.00 H new ATOM 904 N THR A 53 3.145 29.444 -2.293 1.00 0.00 N ATOM 905 CA THR A 53 2.013 29.846 -3.119 1.00 0.00 C ATOM 906 C THR A 53 0.754 30.020 -2.277 1.00 0.00 C ATOM 907 O THR A 53 0.171 31.104 -2.229 1.00 0.00 O ATOM 908 CB THR A 53 1.735 28.817 -4.231 1.00 0.00 C ATOM 909 OG1 THR A 53 2.851 28.751 -5.126 1.00 0.00 O ATOM 910 CG2 THR A 53 0.478 29.184 -5.005 1.00 0.00 C ATOM 0 H THR A 53 3.645 28.623 -2.634 1.00 0.00 H new ATOM 0 HA THR A 53 2.277 30.800 -3.575 1.00 0.00 H new ATOM 0 HB THR A 53 1.584 27.843 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.592 28.279 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.302 28.443 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.374 29.206 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.605 30.167 -5.460 1.00 0.00 H new ATOM 918 N THR A 54 0.337 28.946 -1.614 1.00 0.00 N ATOM 919 CA THR A 54 -0.854 28.980 -0.774 1.00 0.00 C ATOM 920 C THR A 54 -0.663 29.918 0.412 1.00 0.00 C ATOM 921 O THR A 54 -1.632 30.399 0.997 1.00 0.00 O ATOM 922 CB THR A 54 -1.213 27.576 -0.253 1.00 0.00 C ATOM 923 OG1 THR A 54 -2.548 27.573 0.265 1.00 0.00 O ATOM 924 CG2 THR A 54 -0.242 27.137 0.833 1.00 0.00 C ATOM 0 H THR A 54 0.807 28.041 -1.643 1.00 0.00 H new ATOM 0 HA THR A 54 -1.670 29.348 -1.396 1.00 0.00 H new ATOM 0 HB THR A 54 -1.144 26.875 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.770 26.677 0.593 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.516 26.143 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.770 27.113 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.283 27.841 1.664 1.00 0.00 H new ATOM 932 N GLY A 55 0.594 30.174 0.763 1.00 0.00 N ATOM 933 CA GLY A 55 0.888 31.054 1.879 1.00 0.00 C ATOM 934 C GLY A 55 0.565 30.421 3.217 1.00 0.00 C ATOM 935 O GLY A 55 0.064 31.088 4.122 1.00 0.00 O ATOM 0 H GLY A 55 1.414 29.788 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.943 31.326 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.318 31.977 1.770 1.00 0.00 H new ATOM 939 N GLN A 56 0.851 29.129 3.343 1.00 0.00 N ATOM 940 CA GLN A 56 0.586 28.405 4.581 1.00 0.00 C ATOM 941 C GLN A 56 1.467 28.922 5.714 1.00 0.00 C ATOM 942 O GLN A 56 2.404 29.688 5.485 1.00 0.00 O ATOM 943 CB GLN A 56 0.818 26.907 4.381 1.00 0.00 C ATOM 944 CG GLN A 56 -0.464 26.114 4.180 1.00 0.00 C ATOM 945 CD GLN A 56 -1.077 25.654 5.487 1.00 0.00 C ATOM 946 OE1 GLN A 56 -2.119 26.156 5.909 1.00 0.00 O ATOM 947 NE2 GLN A 56 -0.432 24.692 6.138 1.00 0.00 N ATOM 0 H GLN A 56 1.266 28.562 2.603 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.457 28.570 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.465 26.760 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.348 26.511 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.186 26.728 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.255 25.245 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.429 24.304 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.798 24.342 7.023 1.00 0.00 H new TER 956 GLN A 56