USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 298 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 Single : A 38 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 47 THR OG1 : rot -41:sc= 0.104 USER MOD Single : A 53 SER OG : rot 45:sc= 1.01 USER MOD Single : A 55 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 38 -7.160 -10.572 5.818 1.00 0.00 N ATOM 9 CA SER A 38 -5.972 -10.119 6.523 1.00 0.00 C ATOM 10 C SER A 38 -4.875 -9.756 5.520 1.00 0.00 C ATOM 11 O SER A 38 -4.155 -8.777 5.710 1.00 0.00 O ATOM 12 CB SER A 38 -5.469 -11.187 7.496 1.00 0.00 C ATOM 13 OG SER A 38 -4.583 -12.109 6.867 1.00 0.00 O ATOM 0 HA SER A 38 -6.234 -9.233 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.959 -10.706 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.319 -11.728 7.912 1.00 0.00 H new ATOM 0 HG SER A 38 -4.283 -12.773 7.522 1.00 0.00 H new ATOM 19 N ILE A 39 -4.783 -10.564 4.474 1.00 0.00 N ATOM 20 CA ILE A 39 -3.785 -10.340 3.442 1.00 0.00 C ATOM 21 C ILE A 39 -3.962 -8.934 2.865 1.00 0.00 C ATOM 22 O ILE A 39 -3.051 -8.399 2.235 1.00 0.00 O ATOM 23 CB ILE A 39 -3.846 -11.448 2.389 1.00 0.00 C ATOM 24 CG1 ILE A 39 -3.829 -12.830 3.045 1.00 0.00 C ATOM 25 CG2 ILE A 39 -2.725 -11.289 1.359 1.00 0.00 C ATOM 26 CD1 ILE A 39 -2.733 -12.918 4.109 1.00 0.00 C ATOM 0 H ILE A 39 -5.383 -11.374 4.319 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.782 -10.388 3.865 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.791 -11.357 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.799 -13.033 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.666 -13.595 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.792 -12.090 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.825 -10.326 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.759 -11.338 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.742 -13.910 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.762 -12.739 3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.913 -12.168 4.879 1.00 0.00 H new ATOM 38 N ASP A 40 -5.140 -8.375 3.102 1.00 0.00 N ATOM 39 CA ASP A 40 -5.448 -7.041 2.614 1.00 0.00 C ATOM 40 C ASP A 40 -4.565 -6.023 3.337 1.00 0.00 C ATOM 41 O ASP A 40 -4.174 -5.011 2.756 1.00 0.00 O ATOM 42 CB ASP A 40 -6.908 -6.679 2.886 1.00 0.00 C ATOM 43 CG ASP A 40 -7.664 -6.095 1.691 1.00 0.00 C ATOM 44 OD1 ASP A 40 -8.217 -6.907 0.918 1.00 0.00 O ATOM 45 OD2 ASP A 40 -7.671 -4.850 1.577 1.00 0.00 O ATOM 0 H ASP A 40 -5.893 -8.822 3.626 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.267 -7.024 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.431 -7.573 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.942 -5.960 3.704 1.00 0.00 H new ATOM 50 N ARG A 41 -4.276 -6.324 4.594 1.00 0.00 N ATOM 51 CA ARG A 41 -3.446 -5.447 5.403 1.00 0.00 C ATOM 52 C ARG A 41 -2.111 -6.123 5.720 1.00 0.00 C ATOM 53 O ARG A 41 -1.169 -5.468 6.163 1.00 0.00 O ATOM 54 CB ARG A 41 -4.147 -5.078 6.712 1.00 0.00 C ATOM 55 CG ARG A 41 -4.332 -6.310 7.601 1.00 0.00 C ATOM 56 CD ARG A 41 -4.104 -5.962 9.073 1.00 0.00 C ATOM 57 NE ARG A 41 -5.342 -5.398 9.658 1.00 0.00 N ATOM 58 CZ ARG A 41 -5.624 -5.404 10.967 1.00 0.00 C ATOM 59 NH1 ARG A 41 -4.760 -5.945 11.837 1.00 0.00 N ATOM 60 NH2 ARG A 41 -6.772 -4.870 11.408 1.00 0.00 N ATOM 0 H ARG A 41 -4.602 -7.164 5.073 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.269 -4.537 4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.562 -4.327 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.118 -4.632 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.337 -6.710 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.636 -7.091 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.805 -6.854 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.289 -5.244 9.163 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.022 -4.979 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.887 -6.353 11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.975 -5.949 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.431 -4.459 10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.987 -4.875 12.405 1.00 0.00 H new ATOM 74 N LEU A 42 -2.072 -7.426 5.482 1.00 0.00 N ATOM 75 CA LEU A 42 -0.868 -8.198 5.737 1.00 0.00 C ATOM 76 C LEU A 42 0.270 -7.664 4.864 1.00 0.00 C ATOM 77 O LEU A 42 1.431 -7.685 5.270 1.00 0.00 O ATOM 78 CB LEU A 42 -1.139 -9.692 5.547 1.00 0.00 C ATOM 79 CG LEU A 42 -0.322 -10.639 6.427 1.00 0.00 C ATOM 80 CD1 LEU A 42 1.174 -10.339 6.314 1.00 0.00 C ATOM 81 CD2 LEU A 42 -0.807 -10.595 7.878 1.00 0.00 C ATOM 0 H LEU A 42 -2.855 -7.967 5.115 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.555 -8.083 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.197 -9.876 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.952 -9.945 4.504 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.475 -11.656 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.732 -11.027 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.493 -10.462 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.365 -9.314 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.209 -11.277 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.704 -9.582 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.854 -10.895 7.921 1.00 0.00 H new ATOM 93 N ILE A 43 -0.103 -7.197 3.682 1.00 0.00 N ATOM 94 CA ILE A 43 0.871 -6.658 2.749 1.00 0.00 C ATOM 95 C ILE A 43 1.226 -5.227 3.158 1.00 0.00 C ATOM 96 O ILE A 43 2.349 -4.776 2.940 1.00 0.00 O ATOM 97 CB ILE A 43 0.360 -6.777 1.311 1.00 0.00 C ATOM 98 CG1 ILE A 43 -0.259 -8.154 1.062 1.00 0.00 C ATOM 99 CG2 ILE A 43 1.468 -6.457 0.307 1.00 0.00 C ATOM 100 CD1 ILE A 43 -1.261 -8.104 -0.093 1.00 0.00 C ATOM 0 H ILE A 43 -1.067 -7.181 3.349 1.00 0.00 H new ATOM 0 HA ILE A 43 1.793 -7.239 2.785 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.428 -6.038 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.527 -8.874 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.758 -8.501 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.078 -6.549 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.822 -5.439 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.294 -7.155 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.686 -9.095 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.058 -7.401 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.753 -7.780 -1.001 1.00 0.00 H new ATOM 112 N ASP A 44 0.247 -4.554 3.745 1.00 0.00 N ATOM 113 CA ASP A 44 0.443 -3.183 4.187 1.00 0.00 C ATOM 114 C ASP A 44 1.744 -3.091 4.987 1.00 0.00 C ATOM 115 O ASP A 44 2.452 -2.087 4.913 1.00 0.00 O ATOM 116 CB ASP A 44 -0.703 -2.729 5.093 1.00 0.00 C ATOM 117 CG ASP A 44 -1.201 -1.304 4.841 1.00 0.00 C ATOM 118 OD1 ASP A 44 -1.979 -1.137 3.878 1.00 0.00 O ATOM 119 OD2 ASP A 44 -0.791 -0.414 5.618 1.00 0.00 O ATOM 0 H ASP A 44 -0.683 -4.932 3.925 1.00 0.00 H new ATOM 0 HA ASP A 44 0.480 -2.545 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.539 -3.417 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.378 -2.806 6.131 1.00 0.00 H new ATOM 124 N ARG A 45 2.019 -4.150 5.733 1.00 0.00 N ATOM 125 CA ARG A 45 3.223 -4.201 6.545 1.00 0.00 C ATOM 126 C ARG A 45 4.434 -4.549 5.679 1.00 0.00 C ATOM 127 O ARG A 45 5.564 -4.198 6.015 1.00 0.00 O ATOM 128 CB ARG A 45 3.089 -5.237 7.664 1.00 0.00 C ATOM 129 CG ARG A 45 1.959 -4.863 8.625 1.00 0.00 C ATOM 130 CD ARG A 45 0.718 -5.720 8.371 1.00 0.00 C ATOM 131 NE ARG A 45 0.639 -6.806 9.374 1.00 0.00 N ATOM 132 CZ ARG A 45 0.101 -6.665 10.594 1.00 0.00 C ATOM 133 NH1 ARG A 45 -0.408 -5.483 10.968 1.00 0.00 N ATOM 134 NH2 ARG A 45 0.073 -7.705 11.438 1.00 0.00 N ATOM 0 H ARG A 45 1.429 -4.980 5.793 1.00 0.00 H new ATOM 0 HA ARG A 45 3.363 -3.217 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.895 -6.219 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.028 -5.309 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.293 -4.996 9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.708 -3.809 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.178 -5.101 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.757 -6.143 7.367 1.00 0.00 H new ATOM 0 HE ARG A 45 1.018 -7.719 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.386 -4.692 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.818 -5.375 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.461 -8.604 11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.336 -7.598 12.366 1.00 0.00 H new ATOM 148 N ILE A 46 4.158 -5.235 4.580 1.00 0.00 N ATOM 149 CA ILE A 46 5.211 -5.635 3.662 1.00 0.00 C ATOM 150 C ILE A 46 5.499 -4.488 2.692 1.00 0.00 C ATOM 151 O ILE A 46 6.599 -4.391 2.149 1.00 0.00 O ATOM 152 CB ILE A 46 4.847 -6.950 2.969 1.00 0.00 C ATOM 153 CG1 ILE A 46 4.218 -7.935 3.956 1.00 0.00 C ATOM 154 CG2 ILE A 46 6.062 -7.549 2.257 1.00 0.00 C ATOM 155 CD1 ILE A 46 5.286 -8.592 4.832 1.00 0.00 C ATOM 0 H ILE A 46 3.220 -5.524 4.304 1.00 0.00 H new ATOM 0 HA ILE A 46 6.135 -5.833 4.205 1.00 0.00 H new ATOM 0 HB ILE A 46 4.098 -6.738 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.497 -7.414 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.669 -8.702 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.776 -8.483 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.426 -6.848 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.850 -7.744 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.811 -9.287 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.992 -9.133 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.817 -7.825 5.395 1.00 0.00 H new ATOM 167 N THR A 47 4.492 -3.648 2.503 1.00 0.00 N ATOM 168 CA THR A 47 4.623 -2.511 1.608 1.00 0.00 C ATOM 169 C THR A 47 4.649 -1.205 2.405 1.00 0.00 C ATOM 170 O THR A 47 4.786 -0.126 1.830 1.00 0.00 O ATOM 171 CB THR A 47 3.485 -2.579 0.588 1.00 0.00 C ATOM 172 OG1 THR A 47 3.959 -1.806 -0.512 1.00 0.00 O ATOM 173 CG2 THR A 47 2.234 -1.832 1.056 1.00 0.00 C ATOM 0 H THR A 47 3.581 -3.732 2.955 1.00 0.00 H new ATOM 0 HA THR A 47 5.567 -2.542 1.065 1.00 0.00 H new ATOM 0 HB THR A 47 3.234 -3.622 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.406 -1.001 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.457 -1.911 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.876 -2.270 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.477 -0.782 1.218 1.00 0.00 H new ATOM 181 N GLU A 48 4.514 -1.346 3.715 1.00 0.00 N ATOM 182 CA GLU A 48 4.520 -0.191 4.597 1.00 0.00 C ATOM 183 C GLU A 48 5.622 0.786 4.184 1.00 0.00 C ATOM 184 O GLU A 48 5.492 1.994 4.380 1.00 0.00 O ATOM 185 CB GLU A 48 4.683 -0.616 6.057 1.00 0.00 C ATOM 186 CG GLU A 48 6.150 -0.897 6.386 1.00 0.00 C ATOM 187 CD GLU A 48 6.799 0.308 7.072 1.00 0.00 C ATOM 188 OE1 GLU A 48 6.238 0.745 8.099 1.00 0.00 O ATOM 189 OE2 GLU A 48 7.840 0.763 6.552 1.00 0.00 O ATOM 0 H GLU A 48 4.400 -2.243 4.187 1.00 0.00 H new ATOM 0 HA GLU A 48 3.559 0.316 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.304 0.168 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.086 -1.508 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.220 -1.770 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.693 -1.135 5.471 1.00 0.00 H new ATOM 196 N ARG A 49 6.683 0.228 3.620 1.00 0.00 N ATOM 197 CA ARG A 49 7.808 1.035 3.178 1.00 0.00 C ATOM 198 C ARG A 49 7.328 2.146 2.242 1.00 0.00 C ATOM 199 O ARG A 49 7.945 3.207 2.166 1.00 0.00 O ATOM 200 CB ARG A 49 8.848 0.179 2.452 1.00 0.00 C ATOM 201 CG ARG A 49 8.211 -0.595 1.297 1.00 0.00 C ATOM 202 CD ARG A 49 8.377 -2.104 1.490 1.00 0.00 C ATOM 203 NE ARG A 49 9.696 -2.538 0.976 1.00 0.00 N ATOM 204 CZ ARG A 49 9.938 -2.843 -0.306 1.00 0.00 C ATOM 205 NH1 ARG A 49 8.954 -2.764 -1.211 1.00 0.00 N ATOM 206 NH2 ARG A 49 11.166 -3.228 -0.682 1.00 0.00 N ATOM 0 H ARG A 49 6.788 -0.774 3.459 1.00 0.00 H new ATOM 0 HA ARG A 49 8.270 1.474 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.646 0.816 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.304 -0.519 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.152 -0.348 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.669 -0.293 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.289 -2.356 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.581 -2.635 0.968 1.00 0.00 H new ATOM 0 HE ARG A 49 10.468 -2.609 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.020 -2.472 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.139 -2.996 -2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.915 -3.289 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.351 -3.460 -1.658 1.00 0.00 H new ATOM 220 N ALA A 50 6.232 1.864 1.553 1.00 0.00 N ATOM 221 CA ALA A 50 5.663 2.827 0.626 1.00 0.00 C ATOM 222 C ALA A 50 5.016 3.967 1.414 1.00 0.00 C ATOM 223 O ALA A 50 5.480 5.105 1.359 1.00 0.00 O ATOM 224 CB ALA A 50 4.669 2.120 -0.298 1.00 0.00 C ATOM 0 H ALA A 50 5.723 0.982 1.618 1.00 0.00 H new ATOM 0 HA ALA A 50 6.441 3.261 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.242 2.842 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.184 1.339 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.872 1.675 0.298 1.00 0.00 H new ATOM 230 N GLU A 51 3.955 3.623 2.129 1.00 0.00 N ATOM 231 CA GLU A 51 3.240 4.604 2.927 1.00 0.00 C ATOM 232 C GLU A 51 4.169 5.209 3.982 1.00 0.00 C ATOM 233 O GLU A 51 3.846 6.230 4.587 1.00 0.00 O ATOM 234 CB GLU A 51 2.002 3.984 3.579 1.00 0.00 C ATOM 235 CG GLU A 51 2.397 2.913 4.597 1.00 0.00 C ATOM 236 CD GLU A 51 1.880 3.266 5.993 1.00 0.00 C ATOM 237 OE1 GLU A 51 2.134 4.413 6.419 1.00 0.00 O ATOM 238 OE2 GLU A 51 1.243 2.380 6.603 1.00 0.00 O ATOM 0 H GLU A 51 3.573 2.678 2.172 1.00 0.00 H new ATOM 0 HA GLU A 51 2.902 5.403 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.418 4.761 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.364 3.544 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.994 1.948 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.482 2.812 4.622 1.00 0.00 H new ATOM 245 N ASP A 52 5.306 4.554 4.169 1.00 0.00 N ATOM 246 CA ASP A 52 6.284 5.015 5.139 1.00 0.00 C ATOM 247 C ASP A 52 7.197 6.053 4.484 1.00 0.00 C ATOM 248 O ASP A 52 8.411 6.029 4.678 1.00 0.00 O ATOM 249 CB ASP A 52 7.159 3.860 5.630 1.00 0.00 C ATOM 250 CG ASP A 52 6.598 3.087 6.826 1.00 0.00 C ATOM 251 OD1 ASP A 52 5.408 2.714 6.752 1.00 0.00 O ATOM 252 OD2 ASP A 52 7.373 2.886 7.786 1.00 0.00 O ATOM 0 H ASP A 52 5.571 3.708 3.665 1.00 0.00 H new ATOM 0 HA ASP A 52 5.744 5.444 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.311 3.164 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.139 4.255 5.899 1.00 0.00 H new ATOM 257 N SER A 53 6.576 6.941 3.720 1.00 0.00 N ATOM 258 CA SER A 53 7.318 7.986 3.034 1.00 0.00 C ATOM 259 C SER A 53 6.461 8.589 1.919 1.00 0.00 C ATOM 260 O SER A 53 6.628 9.755 1.565 1.00 0.00 O ATOM 261 CB SER A 53 8.630 7.446 2.463 1.00 0.00 C ATOM 262 OG SER A 53 9.707 7.573 3.388 1.00 0.00 O ATOM 0 H SER A 53 5.569 6.958 3.561 1.00 0.00 H new ATOM 0 HA SER A 53 7.562 8.764 3.757 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.504 6.397 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.874 7.982 1.546 1.00 0.00 H new ATOM 0 HG SER A 53 9.409 7.290 4.278 1.00 0.00 H new ATOM 268 N GLY A 54 5.564 7.767 1.395 1.00 0.00 N ATOM 269 CA GLY A 54 4.682 8.204 0.327 1.00 0.00 C ATOM 270 C GLY A 54 4.201 7.016 -0.509 1.00 0.00 C ATOM 271 O GLY A 54 3.040 6.622 -0.423 1.00 0.00 O ATOM 0 H GLY A 54 5.429 6.800 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.824 8.726 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.205 8.915 -0.313 1.00 0.00 H new ATOM 275 N ASN A 55 5.120 6.479 -1.298 1.00 0.00 N ATOM 276 CA ASN A 55 4.805 5.344 -2.149 1.00 0.00 C ATOM 277 C ASN A 55 5.708 5.372 -3.384 1.00 0.00 C ATOM 278 O ASN A 55 5.967 4.334 -3.992 1.00 0.00 O ATOM 279 CB ASN A 55 3.352 5.398 -2.624 1.00 0.00 C ATOM 280 CG ASN A 55 3.160 4.574 -3.899 1.00 0.00 C ATOM 281 OD1 ASN A 55 3.118 3.355 -3.880 1.00 0.00 O ATOM 282 ND2 ASN A 55 3.048 5.306 -5.004 1.00 0.00 N ATOM 0 H ASN A 55 6.083 6.809 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 55 4.961 4.434 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.695 5.020 -1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.065 6.433 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.918 4.850 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.092 6.324 -4.948 1.00 0.00 H new ATOM 289 N GLU A 56 6.161 6.571 -3.719 1.00 0.00 N ATOM 290 CA GLU A 56 7.029 6.748 -4.871 1.00 0.00 C ATOM 291 C GLU A 56 8.492 6.546 -4.470 1.00 0.00 C ATOM 292 O GLU A 56 9.400 6.922 -5.210 1.00 0.00 O ATOM 293 CB GLU A 56 6.820 8.122 -5.509 1.00 0.00 C ATOM 294 CG GLU A 56 5.489 8.180 -6.262 1.00 0.00 C ATOM 295 CD GLU A 56 5.466 9.353 -7.245 1.00 0.00 C ATOM 296 OE1 GLU A 56 5.293 10.494 -6.763 1.00 0.00 O ATOM 297 OE2 GLU A 56 5.622 9.083 -8.455 1.00 0.00 O ATOM 0 H GLU A 56 5.943 7.429 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 56 6.770 5.995 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.839 8.892 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.640 8.337 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.331 7.246 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.669 8.280 -5.551 1.00 0.00 H new ATOM 304 N SER A 57 8.675 5.954 -3.298 1.00 0.00 N ATOM 305 CA SER A 57 10.011 5.699 -2.790 1.00 0.00 C ATOM 306 C SER A 57 10.321 4.202 -2.861 1.00 0.00 C ATOM 307 O SER A 57 11.409 3.771 -2.483 1.00 0.00 O ATOM 308 CB SER A 57 10.160 6.203 -1.353 1.00 0.00 C ATOM 309 OG SER A 57 11.378 6.917 -1.161 1.00 0.00 O ATOM 0 H SER A 57 7.920 5.644 -2.687 1.00 0.00 H new ATOM 0 HA SER A 57 10.722 6.242 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.318 6.850 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.124 5.357 -0.667 1.00 0.00 H new ATOM 0 HG SER A 57 11.435 7.223 -0.232 1.00 0.00 H new ATOM 315 N GLU A 58 9.345 3.451 -3.349 1.00 0.00 N ATOM 316 CA GLU A 58 9.500 2.012 -3.475 1.00 0.00 C ATOM 317 C GLU A 58 9.260 1.576 -4.922 1.00 0.00 C ATOM 318 O GLU A 58 10.117 0.940 -5.533 1.00 0.00 O ATOM 319 CB GLU A 58 8.562 1.273 -2.518 1.00 0.00 C ATOM 320 CG GLU A 58 8.861 -0.227 -2.506 1.00 0.00 C ATOM 321 CD GLU A 58 7.595 -1.041 -2.784 1.00 0.00 C ATOM 322 OE1 GLU A 58 6.528 -0.618 -2.289 1.00 0.00 O ATOM 323 OE2 GLU A 58 7.723 -2.067 -3.487 1.00 0.00 O ATOM 0 H GLU A 58 8.444 3.812 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 58 10.523 1.752 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.671 1.677 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.527 1.439 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.617 -0.457 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.275 -0.511 -1.539 1.00 0.00 H new ATOM 330 N GLY A 59 8.090 1.937 -5.429 1.00 0.00 N ATOM 331 CA GLY A 59 7.727 1.592 -6.793 1.00 0.00 C ATOM 332 C GLY A 59 8.321 0.241 -7.193 1.00 0.00 C ATOM 333 O GLY A 59 9.382 0.185 -7.814 1.00 0.00 O ATOM 0 H GLY A 59 7.381 2.465 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.642 1.558 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.082 2.365 -7.474 1.00 0.00 H new ATOM 337 N ASP A 60 7.612 -0.815 -6.822 1.00 0.00 N ATOM 338 CA ASP A 60 8.057 -2.163 -7.135 1.00 0.00 C ATOM 339 C ASP A 60 6.895 -3.138 -6.937 1.00 0.00 C ATOM 340 O ASP A 60 6.159 -3.431 -7.878 1.00 0.00 O ATOM 341 CB ASP A 60 9.198 -2.595 -6.212 1.00 0.00 C ATOM 342 CG ASP A 60 10.603 -2.266 -6.722 1.00 0.00 C ATOM 343 OD1 ASP A 60 10.852 -2.544 -7.915 1.00 0.00 O ATOM 344 OD2 ASP A 60 11.395 -1.744 -5.908 1.00 0.00 O ATOM 0 H ASP A 60 6.733 -0.765 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 60 8.405 -2.171 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.060 -2.119 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.129 -3.671 -6.052 1.00 0.00 H new ATOM 349 N GLN A 61 6.765 -3.612 -5.707 1.00 0.00 N ATOM 350 CA GLN A 61 5.704 -4.548 -5.374 1.00 0.00 C ATOM 351 C GLN A 61 4.338 -3.936 -5.689 1.00 0.00 C ATOM 352 O GLN A 61 3.471 -4.601 -6.254 1.00 0.00 O ATOM 353 CB GLN A 61 5.789 -4.973 -3.906 1.00 0.00 C ATOM 354 CG GLN A 61 4.630 -5.901 -3.537 1.00 0.00 C ATOM 355 CD GLN A 61 5.139 -7.300 -3.183 1.00 0.00 C ATOM 356 OE1 GLN A 61 5.380 -7.629 -2.033 1.00 0.00 O ATOM 357 NE2 GLN A 61 5.289 -8.102 -4.233 1.00 0.00 N ATOM 0 H GLN A 61 7.376 -3.366 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 61 5.829 -5.442 -5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.737 -5.479 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.771 -4.091 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.081 -5.485 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.931 -5.965 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.069 -7.763 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.624 -9.056 -4.102 1.00 0.00 H new ATOM 366 N GLU A 62 4.188 -2.675 -5.311 1.00 0.00 N ATOM 367 CA GLU A 62 2.942 -1.966 -5.546 1.00 0.00 C ATOM 368 C GLU A 62 2.637 -1.912 -7.044 1.00 0.00 C ATOM 369 O GLU A 62 2.999 -2.822 -7.788 1.00 0.00 O ATOM 370 CB GLU A 62 2.990 -0.559 -4.946 1.00 0.00 C ATOM 371 CG GLU A 62 3.928 0.347 -5.745 1.00 0.00 C ATOM 372 CD GLU A 62 4.701 1.289 -4.820 1.00 0.00 C ATOM 373 OE1 GLU A 62 4.980 0.862 -3.679 1.00 0.00 O ATOM 374 OE2 GLU A 62 4.996 2.415 -5.275 1.00 0.00 O ATOM 0 H GLU A 62 4.909 -2.126 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 62 2.138 -2.510 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.988 -0.131 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.326 -0.613 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.628 -0.262 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.352 0.930 -6.464 1.00 0.00 H new ATOM 381 N GLU A 63 1.974 -0.836 -7.443 1.00 0.00 N ATOM 382 CA GLU A 63 1.616 -0.652 -8.839 1.00 0.00 C ATOM 383 C GLU A 63 0.546 -1.665 -9.250 1.00 0.00 C ATOM 384 O GLU A 63 -0.542 -1.283 -9.679 1.00 0.00 O ATOM 385 CB GLU A 63 2.849 -0.759 -9.740 1.00 0.00 C ATOM 386 CG GLU A 63 2.651 0.030 -11.036 1.00 0.00 C ATOM 387 CD GLU A 63 3.851 -0.141 -11.970 1.00 0.00 C ATOM 388 OE1 GLU A 63 4.797 0.664 -11.830 1.00 0.00 O ATOM 389 OE2 GLU A 63 3.795 -1.072 -12.802 1.00 0.00 O ATOM 0 H GLU A 63 1.675 -0.083 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 63 1.205 0.350 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.724 -0.382 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.044 -1.806 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.744 -0.308 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.512 1.086 -10.806 1.00 0.00 H new ATOM 396 N LEU A 64 0.893 -2.935 -9.106 1.00 0.00 N ATOM 397 CA LEU A 64 -0.025 -4.006 -9.458 1.00 0.00 C ATOM 398 C LEU A 64 -0.629 -4.593 -8.181 1.00 0.00 C ATOM 399 O LEU A 64 -1.552 -5.404 -8.243 1.00 0.00 O ATOM 400 CB LEU A 64 0.673 -5.041 -10.341 1.00 0.00 C ATOM 401 CG LEU A 64 1.626 -6.001 -9.625 1.00 0.00 C ATOM 402 CD1 LEU A 64 1.673 -7.357 -10.332 1.00 0.00 C ATOM 403 CD2 LEU A 64 3.018 -5.383 -9.477 1.00 0.00 C ATOM 0 H LEU A 64 1.797 -3.247 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.852 -3.620 -10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.091 -5.630 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.233 -4.513 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 64 1.243 -6.176 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.357 -8.020 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.676 -7.797 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.019 -7.221 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.675 -6.086 -8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.424 -5.159 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.948 -4.463 -8.897 1.00 0.00 H new ATOM 415 N SER A 65 -0.084 -4.162 -7.053 1.00 0.00 N ATOM 416 CA SER A 65 -0.557 -4.635 -5.764 1.00 0.00 C ATOM 417 C SER A 65 -1.287 -3.509 -5.029 1.00 0.00 C ATOM 418 O SER A 65 -2.074 -3.765 -4.119 1.00 0.00 O ATOM 419 CB SER A 65 0.599 -5.163 -4.912 1.00 0.00 C ATOM 420 OG SER A 65 0.727 -6.579 -5.003 1.00 0.00 O ATOM 0 H SER A 65 0.681 -3.490 -7.005 1.00 0.00 H new ATOM 0 HA SER A 65 -1.251 -5.458 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.529 -4.694 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.441 -4.880 -3.871 1.00 0.00 H new ATOM 0 HG SER A 65 1.477 -6.876 -4.446 1.00 0.00 H new ATOM 426 N ALA A 66 -1.000 -2.287 -5.451 1.00 0.00 N ATOM 427 CA ALA A 66 -1.620 -1.121 -4.845 1.00 0.00 C ATOM 428 C ALA A 66 -2.979 -0.871 -5.502 1.00 0.00 C ATOM 429 O ALA A 66 -3.778 -0.081 -5.002 1.00 0.00 O ATOM 430 CB ALA A 66 -0.681 0.080 -4.971 1.00 0.00 C ATOM 0 H ALA A 66 -0.346 -2.079 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.794 -1.288 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.146 0.955 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.258 -0.137 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.485 0.280 -6.024 1.00 0.00 H new ATOM 436 N LEU A 67 -3.198 -1.558 -6.613 1.00 0.00 N ATOM 437 CA LEU A 67 -4.446 -1.420 -7.344 1.00 0.00 C ATOM 438 C LEU A 67 -5.402 -2.539 -6.928 1.00 0.00 C ATOM 439 O LEU A 67 -6.604 -2.461 -7.182 1.00 0.00 O ATOM 440 CB LEU A 67 -4.182 -1.365 -8.850 1.00 0.00 C ATOM 441 CG LEU A 67 -4.787 -0.172 -9.594 1.00 0.00 C ATOM 442 CD1 LEU A 67 -6.278 -0.033 -9.285 1.00 0.00 C ATOM 443 CD2 LEU A 67 -4.015 1.113 -9.289 1.00 0.00 C ATOM 0 H LEU A 67 -2.532 -2.212 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.931 -0.476 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.104 -1.359 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.566 -2.281 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.696 -0.355 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.684 0.822 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.800 -0.939 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.415 0.117 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.465 1.945 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.052 1.314 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.977 0.997 -9.601 1.00 0.00 H new ATOM 455 N VAL A 68 -4.834 -3.556 -6.297 1.00 0.00 N ATOM 456 CA VAL A 68 -5.620 -4.690 -5.843 1.00 0.00 C ATOM 457 C VAL A 68 -6.142 -4.412 -4.432 1.00 0.00 C ATOM 458 O VAL A 68 -7.328 -4.145 -4.246 1.00 0.00 O ATOM 459 CB VAL A 68 -4.790 -5.972 -5.931 1.00 0.00 C ATOM 460 CG1 VAL A 68 -5.597 -7.182 -5.456 1.00 0.00 C ATOM 461 CG2 VAL A 68 -4.263 -6.187 -7.352 1.00 0.00 C ATOM 0 H VAL A 68 -3.837 -3.618 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.487 -4.835 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.932 -5.862 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.983 -8.080 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.900 -7.033 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.483 -7.296 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.676 -7.105 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.102 -6.266 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.635 -5.344 -7.639 1.00 0.00 H new ATOM 471 N GLU A 69 -5.230 -4.483 -3.474 1.00 0.00 N ATOM 472 CA GLU A 69 -5.583 -4.242 -2.085 1.00 0.00 C ATOM 473 C GLU A 69 -6.127 -2.822 -1.914 1.00 0.00 C ATOM 474 O GLU A 69 -7.312 -2.636 -1.643 1.00 0.00 O ATOM 475 CB GLU A 69 -4.385 -4.484 -1.165 1.00 0.00 C ATOM 476 CG GLU A 69 -3.687 -5.802 -1.508 1.00 0.00 C ATOM 477 CD GLU A 69 -3.820 -6.808 -0.364 1.00 0.00 C ATOM 478 OE1 GLU A 69 -3.281 -6.506 0.723 1.00 0.00 O ATOM 479 OE2 GLU A 69 -4.458 -7.856 -0.601 1.00 0.00 O ATOM 0 H GLU A 69 -4.247 -4.704 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.365 -4.946 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.678 -3.659 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.717 -4.504 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.119 -6.221 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.633 -5.616 -1.713 1.00 0.00 H new ATOM 486 N ARG A 70 -5.235 -1.857 -2.080 1.00 0.00 N ATOM 487 CA ARG A 70 -5.611 -0.460 -1.948 1.00 0.00 C ATOM 488 C ARG A 70 -6.498 -0.035 -3.120 1.00 0.00 C ATOM 489 O ARG A 70 -7.049 -0.880 -3.824 1.00 0.00 O ATOM 490 CB ARG A 70 -4.375 0.441 -1.900 1.00 0.00 C ATOM 491 CG ARG A 70 -3.328 -0.116 -0.934 1.00 0.00 C ATOM 492 CD ARG A 70 -3.243 0.736 0.334 1.00 0.00 C ATOM 493 NE ARG A 70 -1.871 0.686 0.887 1.00 0.00 N ATOM 494 CZ ARG A 70 -1.415 1.509 1.841 1.00 0.00 C ATOM 495 NH1 ARG A 70 -2.219 2.451 2.354 1.00 0.00 N ATOM 496 NH2 ARG A 70 -0.155 1.390 2.282 1.00 0.00 N ATOM 0 H ARG A 70 -4.253 -2.015 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.162 -0.352 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.945 0.528 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.664 1.445 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.581 -1.143 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.355 -0.144 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.515 1.767 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.956 0.373 1.074 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.233 -0.019 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.178 2.541 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.872 3.077 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.456 0.673 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.192 2.016 3.008 1.00 0.00 H new ATOM 510 N GLY A 71 -6.608 1.274 -3.294 1.00 0.00 N ATOM 511 CA GLY A 71 -7.419 1.820 -4.369 1.00 0.00 C ATOM 512 C GLY A 71 -7.459 3.348 -4.303 1.00 0.00 C ATOM 513 O GLY A 71 -7.509 4.017 -5.334 1.00 0.00 O ATOM 0 H GLY A 71 -6.149 1.972 -2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.015 1.504 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.432 1.423 -4.303 1.00 0.00 H new ATOM 517 N HIS A 72 -7.435 3.857 -3.080 1.00 0.00 N ATOM 518 CA HIS A 72 -7.468 5.294 -2.866 1.00 0.00 C ATOM 519 C HIS A 72 -6.116 5.900 -3.247 1.00 0.00 C ATOM 520 O HIS A 72 -5.969 7.121 -3.291 1.00 0.00 O ATOM 521 CB HIS A 72 -7.880 5.620 -1.429 1.00 0.00 C ATOM 522 CG HIS A 72 -7.286 4.694 -0.394 1.00 0.00 C ATOM 523 ND1 HIS A 72 -7.976 4.290 0.735 1.00 0.00 N ATOM 524 CD2 HIS A 72 -6.060 4.098 -0.331 1.00 0.00 C ATOM 525 CE1 HIS A 72 -7.192 3.487 1.440 1.00 0.00 C ATOM 526 NE2 HIS A 72 -6.005 3.370 0.778 1.00 0.00 N ATOM 0 H HIS A 72 -7.393 3.300 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.224 5.744 -3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.582 6.643 -1.200 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.967 5.581 -1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.269 4.201 -1.059 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.448 3.009 2.374 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.206 2.814 1.085 1.00 0.00 H new ATOM 534 N LEU A 73 -5.162 5.020 -3.513 1.00 0.00 N ATOM 535 CA LEU A 73 -3.827 5.453 -3.889 1.00 0.00 C ATOM 536 C LEU A 73 -3.430 6.662 -3.040 1.00 0.00 C ATOM 537 O LEU A 73 -2.705 7.541 -3.505 1.00 0.00 O ATOM 538 CB LEU A 73 -3.751 5.707 -5.396 1.00 0.00 C ATOM 539 CG LEU A 73 -4.815 5.012 -6.248 1.00 0.00 C ATOM 540 CD1 LEU A 73 -4.756 5.493 -7.699 1.00 0.00 C ATOM 541 CD2 LEU A 73 -4.693 3.490 -6.143 1.00 0.00 C ATOM 0 H LEU A 73 -5.287 4.008 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.100 4.667 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.821 6.781 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.769 5.392 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.796 5.284 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.523 4.983 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.929 6.569 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.774 5.270 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.461 3.020 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.708 3.179 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.823 3.185 -5.105 1.00 0.00 H new ATOM 553 N ALA A 74 -3.923 6.669 -1.810 1.00 0.00 N ATOM 554 CA ALA A 74 -3.628 7.757 -0.893 1.00 0.00 C ATOM 555 C ALA A 74 -3.177 7.177 0.450 1.00 0.00 C ATOM 556 O ALA A 74 -3.882 7.297 1.450 1.00 0.00 O ATOM 557 CB ALA A 74 -4.859 8.656 -0.755 1.00 0.00 C ATOM 0 H ALA A 74 -4.524 5.939 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.815 8.373 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.638 9.472 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.122 9.065 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.694 8.072 -0.369 1.00 0.00 H new ATOM 563 N PRO A 75 -1.972 6.546 0.427 1.00 0.00 N ATOM 564 CA PRO A 75 -1.418 5.948 1.630 1.00 0.00 C ATOM 565 C PRO A 75 -0.877 7.022 2.576 1.00 0.00 C ATOM 566 O PRO A 75 -0.977 6.887 3.795 1.00 0.00 O ATOM 567 CB PRO A 75 -0.342 4.995 1.135 1.00 0.00 C ATOM 568 CG PRO A 75 -0.015 5.435 -0.283 1.00 0.00 C ATOM 569 CD PRO A 75 -1.109 6.386 -0.740 1.00 0.00 C ATOM 0 HA PRO A 75 -2.165 5.414 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.542 5.040 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.695 3.964 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.957 5.927 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.043 4.572 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.695 7.342 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.660 5.978 -1.587 1.00 0.00 H new ATOM 577 N TRP A 76 -0.314 8.062 1.980 1.00 0.00 N ATOM 578 CA TRP A 76 0.243 9.158 2.755 1.00 0.00 C ATOM 579 C TRP A 76 -0.904 10.093 3.144 1.00 0.00 C ATOM 580 O TRP A 76 -0.878 10.701 4.213 1.00 0.00 O ATOM 581 CB TRP A 76 1.356 9.867 1.980 1.00 0.00 C ATOM 582 CG TRP A 76 0.863 10.661 0.769 1.00 0.00 C ATOM 583 CD1 TRP A 76 0.457 11.938 0.729 1.00 0.00 C ATOM 584 CD2 TRP A 76 0.739 10.176 -0.585 1.00 0.00 C ATOM 585 NE1 TRP A 76 0.083 12.310 -0.546 1.00 0.00 N ATOM 586 CE2 TRP A 76 0.259 11.205 -1.370 1.00 0.00 C ATOM 587 CE3 TRP A 76 1.023 8.911 -1.127 1.00 0.00 C ATOM 588 CZ2 TRP A 76 0.022 11.073 -2.744 1.00 0.00 C ATOM 589 CZ3 TRP A 76 0.780 8.796 -2.501 1.00 0.00 C ATOM 590 CH2 TRP A 76 0.297 9.821 -3.306 1.00 0.00 C ATOM 0 H TRP A 76 -0.231 8.169 0.969 1.00 0.00 H new ATOM 0 HA TRP A 76 0.713 8.787 3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.881 10.543 2.655 1.00 0.00 H new ATOM 0 HB3 TRP A 76 2.081 9.125 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 76 0.426 12.593 1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.260 13.227 -0.831 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.399 8.093 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.353 11.893 -3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 0.982 7.844 -2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 76 0.135 9.652 -4.360 1.00 0.00 H new ATOM 601 N ASP A 77 -1.883 10.179 2.255 1.00 0.00 N ATOM 602 CA ASP A 77 -3.036 11.029 2.492 1.00 0.00 C ATOM 603 C ASP A 77 -4.279 10.156 2.675 1.00 0.00 C ATOM 604 O ASP A 77 -5.257 10.301 1.943 1.00 0.00 O ATOM 605 CB ASP A 77 -3.285 11.963 1.306 1.00 0.00 C ATOM 606 CG ASP A 77 -3.971 13.285 1.656 1.00 0.00 C ATOM 607 OD1 ASP A 77 -4.730 13.285 2.650 1.00 0.00 O ATOM 608 OD2 ASP A 77 -3.722 14.266 0.923 1.00 0.00 O ATOM 0 H ASP A 77 -1.901 9.673 1.369 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.839 11.623 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.330 12.182 0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.895 11.438 0.571 1.00 0.00 H new ATOM 613 N VAL A 78 -4.201 9.269 3.655 1.00 0.00 N ATOM 614 CA VAL A 78 -5.308 8.373 3.943 1.00 0.00 C ATOM 615 C VAL A 78 -6.492 9.185 4.472 1.00 0.00 C ATOM 616 O VAL A 78 -7.609 8.676 4.557 1.00 0.00 O ATOM 617 CB VAL A 78 -4.855 7.277 4.911 1.00 0.00 C ATOM 618 CG1 VAL A 78 -6.040 6.724 5.706 1.00 0.00 C ATOM 619 CG2 VAL A 78 -4.123 6.158 4.168 1.00 0.00 C ATOM 0 H VAL A 78 -3.388 9.151 4.260 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.639 7.870 3.034 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.156 7.722 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.691 5.947 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.500 7.528 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.774 6.302 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.812 5.392 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.790 5.716 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.245 6.567 3.668 1.00 0.00 H new