USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 6 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 160:sc= -0.0427 USER MOD Single : A 40 TYR OH : rot -104:sc= 0.039 USER MOD Single : A 42 SER OG : rot 97:sc= 0.117 USER MOD Single : A 46 MET CE :methyl 162:sc= -0.0372 (180deg=-0.547) USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.0484 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 90:sc= -1.38! USER MOD Single : A 59 SER OG : rot 63:sc= 0.186 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.576 USER MOD Single : A 79 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -3.491 9.762 -1.478 1.00 0.00 N ATOM 45 CA LEU A 4 -3.690 9.704 -2.923 1.00 0.00 C ATOM 46 C LEU A 4 -4.024 8.277 -3.355 1.00 0.00 C ATOM 47 O LEU A 4 -5.041 8.032 -4.005 1.00 0.00 O ATOM 48 CB LEU A 4 -2.425 10.182 -3.659 1.00 0.00 C ATOM 49 CG LEU A 4 -2.771 11.296 -4.661 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.774 10.776 -5.695 1.00 0.00 C ATOM 51 CD2 LEU A 4 -3.380 12.490 -3.918 1.00 0.00 C ATOM 0 HA LEU A 4 -4.521 10.360 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.694 10.548 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.964 9.345 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.859 11.610 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.014 11.571 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.339 9.933 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.684 10.453 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.624 13.277 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.287 12.174 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.663 12.870 -3.190 1.00 0.00 H new ATOM 63 N LEU A 5 -3.156 7.338 -2.986 1.00 0.00 N ATOM 64 CA LEU A 5 -3.370 5.938 -3.343 1.00 0.00 C ATOM 65 C LEU A 5 -4.175 5.232 -2.255 1.00 0.00 C ATOM 66 O LEU A 5 -3.987 5.475 -1.065 1.00 0.00 O ATOM 67 CB LEU A 5 -2.025 5.220 -3.540 1.00 0.00 C ATOM 68 CG LEU A 5 -2.013 4.506 -4.896 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.078 5.543 -6.018 1.00 0.00 C ATOM 70 CD2 LEU A 5 -0.724 3.694 -5.034 1.00 0.00 C ATOM 0 H LEU A 5 -2.309 7.517 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.928 5.905 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.207 5.939 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.866 4.500 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.873 3.840 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.069 5.036 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.994 6.126 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.217 6.207 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.715 3.186 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.135 4.361 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.672 2.955 -4.234 1.00 0.00 H new ATOM 82 N THR A 6 -5.083 4.361 -2.683 1.00 0.00 N ATOM 83 CA THR A 6 -5.925 3.628 -1.739 1.00 0.00 C ATOM 84 C THR A 6 -5.930 2.133 -2.056 1.00 0.00 C ATOM 85 O THR A 6 -5.470 1.700 -3.116 1.00 0.00 O ATOM 86 CB THR A 6 -7.363 4.160 -1.791 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.207 3.328 -1.008 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.859 4.173 -3.237 1.00 0.00 C ATOM 0 H THR A 6 -5.255 4.146 -3.665 1.00 0.00 H new ATOM 0 HA THR A 6 -5.514 3.775 -0.740 1.00 0.00 H new ATOM 0 HB THR A 6 -7.384 5.175 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.125 3.670 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.881 4.552 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.215 4.816 -3.837 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.835 3.160 -3.639 1.00 0.00 H new ATOM 96 N THR A 7 -6.463 1.346 -1.120 1.00 0.00 N ATOM 97 CA THR A 7 -6.539 -0.103 -1.297 1.00 0.00 C ATOM 98 C THR A 7 -7.311 -0.440 -2.576 1.00 0.00 C ATOM 99 O THR A 7 -7.015 -1.420 -3.259 1.00 0.00 O ATOM 100 CB THR A 7 -7.234 -0.747 -0.091 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.493 -0.457 1.088 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.312 -2.264 -0.281 1.00 0.00 C ATOM 0 H THR A 7 -6.846 1.686 -0.238 1.00 0.00 H new ATOM 0 HA THR A 7 -5.526 -0.496 -1.378 1.00 0.00 H new ATOM 0 HB THR A 7 -8.243 -0.346 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.935 -0.866 1.861 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.807 -2.714 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.879 -2.489 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.305 -2.671 -0.374 1.00 0.00 H new ATOM 110 N ASP A 8 -8.299 0.393 -2.891 1.00 0.00 N ATOM 111 CA ASP A 8 -9.107 0.191 -4.099 1.00 0.00 C ATOM 112 C ASP A 8 -8.199 0.118 -5.325 1.00 0.00 C ATOM 113 O ASP A 8 -8.373 -0.733 -6.198 1.00 0.00 O ATOM 114 CB ASP A 8 -10.101 1.339 -4.279 1.00 0.00 C ATOM 115 CG ASP A 8 -11.372 1.038 -3.492 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.812 -0.099 -3.527 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.887 1.950 -2.866 1.00 0.00 O ATOM 0 H ASP A 8 -8.561 1.208 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.657 -0.744 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.660 2.274 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.336 1.468 -5.335 1.00 0.00 H new ATOM 122 N ASP A 9 -7.211 1.007 -5.359 1.00 0.00 N ATOM 123 CA ASP A 9 -6.254 1.023 -6.459 1.00 0.00 C ATOM 124 C ASP A 9 -5.429 -0.258 -6.425 1.00 0.00 C ATOM 125 O ASP A 9 -5.052 -0.803 -7.463 1.00 0.00 O ATOM 126 CB ASP A 9 -5.317 2.228 -6.344 1.00 0.00 C ATOM 127 CG ASP A 9 -4.840 2.634 -7.735 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.632 2.555 -8.658 1.00 0.00 O ATOM 129 OD2 ASP A 9 -3.689 3.019 -7.855 1.00 0.00 O ATOM 0 H ASP A 9 -7.053 1.719 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.802 1.094 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.834 3.061 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.464 1.980 -5.713 1.00 0.00 H new ATOM 134 N LEU A 10 -5.168 -0.742 -5.205 1.00 0.00 N ATOM 135 CA LEU A 10 -4.401 -1.979 -5.008 1.00 0.00 C ATOM 136 C LEU A 10 -4.964 -3.108 -5.874 1.00 0.00 C ATOM 137 O LEU A 10 -4.262 -3.689 -6.703 1.00 0.00 O ATOM 138 CB LEU A 10 -4.479 -2.407 -3.537 1.00 0.00 C ATOM 139 CG LEU A 10 -3.286 -3.295 -3.171 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.266 -3.507 -1.656 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.417 -4.654 -3.864 1.00 0.00 C ATOM 0 H LEU A 10 -5.476 -0.297 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.366 -1.787 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.493 -1.525 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.409 -2.946 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.364 -2.812 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.419 -4.139 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.173 -2.543 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.192 -3.990 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.565 -5.281 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.338 -5.139 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.441 -4.511 -4.944 1.00 0.00 H new ATOM 153 N ARG A 11 -6.243 -3.408 -5.664 1.00 0.00 N ATOM 154 CA ARG A 11 -6.909 -4.467 -6.418 1.00 0.00 C ATOM 155 C ARG A 11 -6.887 -4.160 -7.912 1.00 0.00 C ATOM 156 O ARG A 11 -6.564 -5.018 -8.733 1.00 0.00 O ATOM 157 CB ARG A 11 -8.365 -4.606 -5.959 1.00 0.00 C ATOM 158 CG ARG A 11 -8.757 -6.088 -5.915 1.00 0.00 C ATOM 159 CD ARG A 11 -9.525 -6.456 -7.186 1.00 0.00 C ATOM 160 NE ARG A 11 -10.886 -5.930 -7.136 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.901 -6.601 -7.677 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.225 -6.398 -8.924 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.571 -7.460 -6.959 1.00 0.00 N ATOM 0 H ARG A 11 -6.837 -2.936 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.374 -5.399 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.489 -4.158 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.024 -4.066 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.865 -6.708 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.372 -6.286 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.007 -6.057 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.552 -7.540 -7.300 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.062 -5.035 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.701 -5.726 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.002 -6.912 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.317 -7.617 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.349 -7.974 -7.373 1.00 0.00 H new ATOM 177 N ARG A 12 -7.242 -2.925 -8.252 1.00 0.00 N ATOM 178 CA ARG A 12 -7.275 -2.493 -9.652 1.00 0.00 C ATOM 179 C ARG A 12 -5.938 -2.755 -10.354 1.00 0.00 C ATOM 180 O ARG A 12 -5.884 -2.876 -11.578 1.00 0.00 O ATOM 181 CB ARG A 12 -7.594 -0.998 -9.737 1.00 0.00 C ATOM 182 CG ARG A 12 -9.105 -0.801 -9.887 1.00 0.00 C ATOM 183 CD ARG A 12 -9.466 -0.676 -11.370 1.00 0.00 C ATOM 184 NE ARG A 12 -10.497 0.339 -11.565 1.00 0.00 N ATOM 185 CZ ARG A 12 -10.595 1.005 -12.713 1.00 0.00 C ATOM 186 NH1 ARG A 12 -9.528 1.519 -13.263 1.00 0.00 N ATOM 187 NH2 ARG A 12 -11.757 1.144 -13.289 1.00 0.00 N ATOM 0 H ARG A 12 -7.511 -2.205 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.052 -3.071 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.238 -0.489 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.073 -0.553 -10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.637 -1.643 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.420 0.094 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.578 -0.415 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.818 -1.637 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.152 0.541 -10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.619 1.410 -12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.603 2.029 -14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.590 0.742 -12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.832 1.654 -14.169 1.00 0.00 H new ATOM 201 N ALA A 13 -4.863 -2.834 -9.574 1.00 0.00 N ATOM 202 CA ALA A 13 -3.538 -3.071 -10.145 1.00 0.00 C ATOM 203 C ALA A 13 -3.292 -4.562 -10.354 1.00 0.00 C ATOM 204 O ALA A 13 -2.715 -4.975 -11.359 1.00 0.00 O ATOM 205 CB ALA A 13 -2.451 -2.513 -9.223 1.00 0.00 C ATOM 0 H ALA A 13 -4.880 -2.739 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.499 -2.563 -11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.471 -2.698 -9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.596 -1.440 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.511 -3.003 -8.251 1.00 0.00 H new ATOM 211 N LEU A 14 -3.730 -5.365 -9.389 1.00 0.00 N ATOM 212 CA LEU A 14 -3.543 -6.813 -9.475 1.00 0.00 C ATOM 213 C LEU A 14 -4.332 -7.402 -10.644 1.00 0.00 C ATOM 214 O LEU A 14 -3.969 -8.446 -11.187 1.00 0.00 O ATOM 215 CB LEU A 14 -3.993 -7.487 -8.176 1.00 0.00 C ATOM 216 CG LEU A 14 -2.807 -7.576 -7.212 1.00 0.00 C ATOM 217 CD1 LEU A 14 -3.317 -7.827 -5.793 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.894 -8.729 -7.637 1.00 0.00 C ATOM 0 H LEU A 14 -4.211 -5.045 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.481 -6.999 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.804 -6.919 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.381 -8.484 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.249 -6.640 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.471 -7.890 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.969 -7.007 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.875 -8.763 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.048 -8.795 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.454 -9.664 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.529 -8.550 -8.648 1.00 0.00 H new ATOM 230 N VAL A 15 -5.414 -6.728 -11.029 1.00 0.00 N ATOM 231 CA VAL A 15 -6.239 -7.204 -12.137 1.00 0.00 C ATOM 232 C VAL A 15 -5.626 -6.794 -13.474 1.00 0.00 C ATOM 233 O VAL A 15 -5.731 -7.512 -14.467 1.00 0.00 O ATOM 234 CB VAL A 15 -7.657 -6.631 -12.038 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.548 -7.279 -13.102 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.230 -6.921 -10.648 1.00 0.00 C ATOM 0 H VAL A 15 -5.737 -5.862 -10.597 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.285 -8.291 -12.078 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.623 -5.554 -12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.556 -6.871 -13.030 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.142 -7.072 -14.092 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.581 -8.357 -12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.238 -6.513 -10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.262 -7.998 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.598 -6.458 -9.890 1.00 0.00 H new ATOM 246 N GLU A 16 -4.983 -5.630 -13.484 1.00 0.00 N ATOM 247 CA GLU A 16 -4.356 -5.131 -14.704 1.00 0.00 C ATOM 248 C GLU A 16 -3.241 -6.071 -15.152 1.00 0.00 C ATOM 249 O GLU A 16 -3.089 -6.355 -16.340 1.00 0.00 O ATOM 250 CB GLU A 16 -3.775 -3.733 -14.475 1.00 0.00 C ATOM 251 CG GLU A 16 -4.871 -2.685 -14.673 1.00 0.00 C ATOM 252 CD GLU A 16 -4.240 -1.358 -15.081 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.622 -1.317 -16.132 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.386 -0.403 -14.337 1.00 0.00 O ATOM 0 H GLU A 16 -4.883 -5.021 -12.672 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.120 -5.081 -15.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.364 -3.659 -13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.954 -3.551 -15.168 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.572 -3.017 -15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.441 -2.561 -13.752 1.00 0.00 H new ATOM 261 N CYS A 17 -2.463 -6.551 -14.185 1.00 0.00 N ATOM 262 CA CYS A 17 -1.362 -7.463 -14.489 1.00 0.00 C ATOM 263 C CYS A 17 -1.900 -8.794 -15.003 1.00 0.00 C ATOM 264 O CYS A 17 -1.526 -9.256 -16.081 1.00 0.00 O ATOM 265 CB CYS A 17 -0.517 -7.715 -13.239 1.00 0.00 C ATOM 266 SG CYS A 17 0.360 -6.198 -12.785 1.00 0.00 S ATOM 0 H CYS A 17 -2.572 -6.328 -13.196 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.743 -7.001 -15.258 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.154 -8.039 -12.416 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.196 -8.518 -13.425 1.00 0.00 H new ATOM 0 HG CYS A 17 0.722 -6.263 -11.538 1.00 0.00 H new ATOM 272 N ALA A 18 -2.781 -9.405 -14.217 1.00 0.00 N ATOM 273 CA ALA A 18 -3.369 -10.686 -14.601 1.00 0.00 C ATOM 274 C ALA A 18 -4.777 -10.820 -14.029 1.00 0.00 C ATOM 275 O ALA A 18 -4.964 -11.276 -12.901 1.00 0.00 O ATOM 276 CB ALA A 18 -2.511 -11.845 -14.091 1.00 0.00 C ATOM 0 H ALA A 18 -3.101 -9.040 -13.320 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.414 -10.721 -15.689 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.965 -12.791 -14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.511 -11.773 -14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.445 -11.798 -13.004 1.00 0.00 H new ATOM 400 N ASP A 29 -10.457 -8.744 4.384 1.00 0.00 N ATOM 401 CA ASP A 29 -9.540 -7.712 3.911 1.00 0.00 C ATOM 402 C ASP A 29 -9.272 -7.879 2.416 1.00 0.00 C ATOM 403 O ASP A 29 -9.765 -7.089 1.614 1.00 0.00 O ATOM 404 CB ASP A 29 -8.213 -7.783 4.670 1.00 0.00 C ATOM 405 CG ASP A 29 -8.400 -7.224 6.077 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.026 -7.895 6.881 1.00 0.00 O ATOM 407 OD2 ASP A 29 -7.915 -6.133 6.329 1.00 0.00 O ATOM 0 HA ASP A 29 -10.005 -6.742 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.866 -8.815 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.448 -7.215 4.140 1.00 0.00 H new ATOM 412 N PHE A 30 -8.483 -8.928 2.088 1.00 0.00 N ATOM 413 CA PHE A 30 -8.076 -9.310 0.710 1.00 0.00 C ATOM 414 C PHE A 30 -6.561 -9.141 0.503 1.00 0.00 C ATOM 415 O PHE A 30 -6.093 -9.016 -0.629 1.00 0.00 O ATOM 416 CB PHE A 30 -8.871 -8.580 -0.410 1.00 0.00 C ATOM 417 CG PHE A 30 -8.216 -7.270 -0.857 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.636 -6.404 0.078 1.00 0.00 C ATOM 419 CD2 PHE A 30 -8.185 -6.937 -2.217 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.033 -5.218 -0.339 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.577 -5.746 -2.636 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.001 -4.887 -1.692 1.00 0.00 C ATOM 0 H PHE A 30 -8.098 -9.554 2.796 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.329 -10.366 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.967 -9.243 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.880 -8.372 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.656 -6.656 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.631 -7.599 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.590 -4.554 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.553 -5.491 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.532 -3.968 -2.013 1.00 0.00 H new ATOM 432 N LEU A 31 -5.798 -9.150 1.598 1.00 0.00 N ATOM 433 CA LEU A 31 -4.351 -9.010 1.500 1.00 0.00 C ATOM 434 C LEU A 31 -3.673 -10.211 2.180 1.00 0.00 C ATOM 435 O LEU A 31 -3.738 -11.315 1.639 1.00 0.00 O ATOM 436 CB LEU A 31 -3.908 -7.657 2.092 1.00 0.00 C ATOM 437 CG LEU A 31 -4.667 -6.531 1.371 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.251 -5.167 1.924 1.00 0.00 C ATOM 439 CD2 LEU A 31 -4.377 -6.577 -0.141 1.00 0.00 C ATOM 0 H LEU A 31 -6.155 -9.251 2.548 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.041 -9.010 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.114 -7.627 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.833 -7.526 1.971 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.734 -6.676 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.798 -4.381 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.478 -5.122 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.181 -5.025 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.920 -5.775 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.308 -6.451 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.698 -7.538 -0.544 1.00 0.00 H new ATOM 451 N ASP A 32 -3.043 -10.014 3.359 1.00 0.00 N ATOM 452 CA ASP A 32 -2.371 -11.114 4.095 1.00 0.00 C ATOM 453 C ASP A 32 -1.742 -12.148 3.147 1.00 0.00 C ATOM 454 O ASP A 32 -2.133 -13.317 3.124 1.00 0.00 O ATOM 455 CB ASP A 32 -3.373 -11.819 5.014 1.00 0.00 C ATOM 456 CG ASP A 32 -3.527 -11.025 6.307 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.515 -10.723 6.918 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.654 -10.730 6.667 1.00 0.00 O ATOM 0 H ASP A 32 -2.984 -9.107 3.822 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.571 -10.665 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.338 -11.911 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.031 -12.830 5.235 1.00 0.00 H new ATOM 463 N LEU A 33 -0.784 -11.692 2.340 1.00 0.00 N ATOM 464 CA LEU A 33 -0.131 -12.571 1.364 1.00 0.00 C ATOM 465 C LEU A 33 -1.118 -12.890 0.243 1.00 0.00 C ATOM 466 O LEU A 33 -2.153 -13.518 0.468 1.00 0.00 O ATOM 467 CB LEU A 33 0.356 -13.882 2.017 1.00 0.00 C ATOM 468 CG LEU A 33 1.880 -14.025 1.872 1.00 0.00 C ATOM 469 CD1 LEU A 33 2.271 -14.006 0.390 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.578 -12.871 2.602 1.00 0.00 C ATOM 0 H LEU A 33 -0.444 -10.730 2.340 1.00 0.00 H new ATOM 0 HA LEU A 33 0.742 -12.055 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.083 -13.892 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.141 -14.733 1.551 1.00 0.00 H new ATOM 0 HG LEU A 33 2.191 -14.973 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.352 -14.108 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.783 -14.833 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.956 -13.063 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.658 -12.975 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.261 -11.922 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.312 -12.895 3.659 1.00 0.00 H new ATOM 482 N ARG A 34 -0.795 -12.432 -0.962 1.00 0.00 N ATOM 483 CA ARG A 34 -1.672 -12.655 -2.112 1.00 0.00 C ATOM 484 C ARG A 34 -0.864 -12.872 -3.392 1.00 0.00 C ATOM 485 O ARG A 34 -1.195 -13.733 -4.206 1.00 0.00 O ATOM 486 CB ARG A 34 -2.612 -11.459 -2.299 1.00 0.00 C ATOM 487 CG ARG A 34 -3.674 -11.788 -3.349 1.00 0.00 C ATOM 488 CD ARG A 34 -4.579 -10.572 -3.570 1.00 0.00 C ATOM 489 NE ARG A 34 -5.977 -10.984 -3.674 1.00 0.00 N ATOM 490 CZ ARG A 34 -6.855 -10.261 -4.363 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.800 -8.958 -4.325 1.00 0.00 N ATOM 492 NH2 ARG A 34 -7.771 -10.854 -5.079 1.00 0.00 N ATOM 0 H ARG A 34 0.056 -11.910 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.257 -13.554 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.090 -11.210 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.042 -10.583 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.196 -12.072 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.269 -12.641 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.462 -9.870 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.280 -10.049 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.284 -11.839 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.083 -8.494 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.473 -8.403 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.814 -11.873 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.444 -10.299 -5.607 1.00 0.00 H new ATOM 506 N PHE A 35 0.199 -12.084 -3.567 1.00 0.00 N ATOM 507 CA PHE A 35 1.043 -12.207 -4.757 1.00 0.00 C ATOM 508 C PHE A 35 1.603 -13.626 -4.874 1.00 0.00 C ATOM 509 O PHE A 35 1.814 -14.138 -5.973 1.00 0.00 O ATOM 510 CB PHE A 35 2.215 -11.221 -4.691 1.00 0.00 C ATOM 511 CG PHE A 35 1.781 -9.859 -5.185 1.00 0.00 C ATOM 512 CD1 PHE A 35 0.629 -9.253 -4.662 1.00 0.00 C ATOM 513 CD2 PHE A 35 2.537 -9.194 -6.160 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.236 -7.989 -5.116 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.142 -7.930 -6.610 1.00 0.00 C ATOM 516 CZ PHE A 35 0.993 -7.328 -6.088 1.00 0.00 C ATOM 0 H PHE A 35 0.493 -11.363 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 35 0.425 -11.984 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.579 -11.145 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.043 -11.589 -5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.045 -9.762 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.425 -9.658 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.653 -7.524 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.725 -7.418 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.690 -6.352 -6.436 1.00 0.00 H new ATOM 526 N GLU A 36 1.841 -14.250 -3.723 1.00 0.00 N ATOM 527 CA GLU A 36 2.378 -15.609 -3.697 1.00 0.00 C ATOM 528 C GLU A 36 1.285 -16.632 -3.994 1.00 0.00 C ATOM 529 O GLU A 36 1.552 -17.707 -4.532 1.00 0.00 O ATOM 530 CB GLU A 36 2.987 -15.917 -2.328 1.00 0.00 C ATOM 531 CG GLU A 36 4.051 -17.006 -2.476 1.00 0.00 C ATOM 532 CD GLU A 36 4.159 -17.793 -1.174 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.380 -17.172 -0.147 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.018 -19.003 -1.223 1.00 0.00 O ATOM 0 H GLU A 36 1.673 -13.841 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 36 3.149 -15.675 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.430 -15.016 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.210 -16.245 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.791 -17.674 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.013 -16.558 -2.723 1.00 0.00 H new ATOM 541 N ASP A 37 0.045 -16.288 -3.638 1.00 0.00 N ATOM 542 CA ASP A 37 -1.090 -17.187 -3.869 1.00 0.00 C ATOM 543 C ASP A 37 -1.174 -17.597 -5.338 1.00 0.00 C ATOM 544 O ASP A 37 -1.626 -18.693 -5.667 1.00 0.00 O ATOM 545 CB ASP A 37 -2.398 -16.504 -3.468 1.00 0.00 C ATOM 546 CG ASP A 37 -3.499 -17.551 -3.334 1.00 0.00 C ATOM 547 OD1 ASP A 37 -3.235 -18.587 -2.750 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.591 -17.298 -3.818 1.00 0.00 O ATOM 0 H ASP A 37 -0.198 -15.403 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.937 -18.077 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.269 -15.974 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.677 -15.761 -4.216 1.00 0.00 H new ATOM 553 N ILE A 38 -0.725 -16.704 -6.217 1.00 0.00 N ATOM 554 CA ILE A 38 -0.748 -16.985 -7.655 1.00 0.00 C ATOM 555 C ILE A 38 0.685 -17.142 -8.161 1.00 0.00 C ATOM 556 O ILE A 38 1.642 -17.025 -7.395 1.00 0.00 O ATOM 557 CB ILE A 38 -1.442 -15.862 -8.464 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.441 -15.083 -7.587 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.195 -16.477 -9.655 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.760 -13.840 -7.013 1.00 0.00 C ATOM 0 H ILE A 38 -0.345 -15.791 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.318 -17.903 -7.799 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.675 -15.173 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.310 -14.794 -8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.802 -15.718 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.683 -15.686 -10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.490 -17.005 -10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.946 -17.177 -9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.468 -13.291 -6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.905 -14.140 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.421 -13.202 -7.829 1.00 0.00 H new ATOM 572 N GLY A 39 0.829 -17.409 -9.456 1.00 0.00 N ATOM 573 CA GLY A 39 2.155 -17.580 -10.041 1.00 0.00 C ATOM 574 C GLY A 39 2.702 -16.251 -10.551 1.00 0.00 C ATOM 575 O GLY A 39 3.116 -16.137 -11.705 1.00 0.00 O ATOM 0 H GLY A 39 0.055 -17.511 -10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.834 -17.995 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.105 -18.296 -10.861 1.00 0.00 H new ATOM 579 N TYR A 40 2.705 -15.245 -9.679 1.00 0.00 N ATOM 580 CA TYR A 40 3.211 -13.928 -10.058 1.00 0.00 C ATOM 581 C TYR A 40 4.736 -13.939 -10.083 1.00 0.00 C ATOM 582 O TYR A 40 5.391 -13.972 -9.041 1.00 0.00 O ATOM 583 CB TYR A 40 2.727 -12.852 -9.072 1.00 0.00 C ATOM 584 CG TYR A 40 1.522 -12.140 -9.645 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.698 -11.068 -10.529 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.230 -12.552 -9.294 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.584 -10.408 -11.061 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.884 -11.892 -9.827 1.00 0.00 C ATOM 589 CZ TYR A 40 -0.707 -10.821 -10.710 1.00 0.00 C ATOM 590 OH TYR A 40 -1.805 -10.171 -11.235 1.00 0.00 O ATOM 0 H TYR A 40 2.368 -15.314 -8.719 1.00 0.00 H new ATOM 0 HA TYR A 40 2.830 -13.693 -11.052 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.471 -13.310 -8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.526 -12.136 -8.879 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.694 -10.750 -10.800 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.093 -13.379 -8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.720 -9.581 -11.742 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.880 -12.210 -9.557 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.195 -9.585 -10.553 1.00 0.00 H new ATOM 600 N ASP A 41 5.293 -13.912 -11.290 1.00 0.00 N ATOM 601 CA ASP A 41 6.746 -13.920 -11.458 1.00 0.00 C ATOM 602 C ASP A 41 7.378 -12.713 -10.767 1.00 0.00 C ATOM 603 O ASP A 41 8.498 -12.788 -10.264 1.00 0.00 O ATOM 604 CB ASP A 41 7.108 -13.902 -12.947 1.00 0.00 C ATOM 605 CG ASP A 41 6.613 -12.614 -13.609 1.00 0.00 C ATOM 606 OD1 ASP A 41 5.483 -12.234 -13.357 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.376 -12.030 -14.361 1.00 0.00 O ATOM 0 H ASP A 41 4.766 -13.885 -12.163 1.00 0.00 H new ATOM 0 HA ASP A 41 7.134 -14.831 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.188 -13.985 -13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.666 -14.765 -13.444 1.00 0.00 H new ATOM 612 N SER A 42 6.627 -11.601 -10.775 1.00 0.00 N ATOM 613 CA SER A 42 7.052 -10.319 -10.168 1.00 0.00 C ATOM 614 C SER A 42 7.708 -9.416 -11.212 1.00 0.00 C ATOM 615 O SER A 42 7.676 -8.190 -11.094 1.00 0.00 O ATOM 616 CB SER A 42 8.019 -10.500 -8.987 1.00 0.00 C ATOM 617 OG SER A 42 7.545 -11.545 -8.148 1.00 0.00 O ATOM 0 H SER A 42 5.702 -11.560 -11.204 1.00 0.00 H new ATOM 0 HA SER A 42 6.143 -9.856 -9.785 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.018 -10.737 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.098 -9.572 -8.421 1.00 0.00 H new ATOM 0 HG SER A 42 8.004 -12.381 -8.375 1.00 0.00 H new ATOM 623 N LEU A 43 8.292 -10.024 -12.241 1.00 0.00 N ATOM 624 CA LEU A 43 8.937 -9.251 -13.298 1.00 0.00 C ATOM 625 C LEU A 43 7.888 -8.567 -14.173 1.00 0.00 C ATOM 626 O LEU A 43 8.138 -7.510 -14.753 1.00 0.00 O ATOM 627 CB LEU A 43 9.802 -10.159 -14.174 1.00 0.00 C ATOM 628 CG LEU A 43 10.854 -9.318 -14.897 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.090 -9.170 -14.008 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.247 -10.011 -16.204 1.00 0.00 C ATOM 0 H LEU A 43 8.332 -11.036 -12.365 1.00 0.00 H new ATOM 0 HA LEU A 43 9.566 -8.496 -12.827 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.287 -10.919 -13.561 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.179 -10.684 -14.899 1.00 0.00 H new ATOM 0 HG LEU A 43 10.444 -8.332 -15.115 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.840 -8.570 -14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.811 -8.679 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.501 -10.156 -13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.997 -9.413 -16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.657 -10.997 -15.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.367 -10.117 -16.838 1.00 0.00 H new ATOM 642 N ALA A 44 6.709 -9.183 -14.265 1.00 0.00 N ATOM 643 CA ALA A 44 5.629 -8.625 -15.074 1.00 0.00 C ATOM 644 C ALA A 44 5.014 -7.411 -14.385 1.00 0.00 C ATOM 645 O ALA A 44 4.877 -6.344 -14.983 1.00 0.00 O ATOM 646 CB ALA A 44 4.537 -9.673 -15.303 1.00 0.00 C ATOM 0 H ALA A 44 6.480 -10.059 -13.795 1.00 0.00 H new ATOM 0 HA ALA A 44 6.051 -8.322 -16.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.739 -9.241 -15.908 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.961 -10.533 -15.822 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.132 -9.992 -14.343 1.00 0.00 H new ATOM 652 N LEU A 45 4.643 -7.584 -13.118 1.00 0.00 N ATOM 653 CA LEU A 45 4.041 -6.489 -12.358 1.00 0.00 C ATOM 654 C LEU A 45 5.071 -5.396 -12.034 1.00 0.00 C ATOM 655 O LEU A 45 4.711 -4.318 -11.561 1.00 0.00 O ATOM 656 CB LEU A 45 3.415 -7.011 -11.056 1.00 0.00 C ATOM 657 CG LEU A 45 4.494 -7.607 -10.142 1.00 0.00 C ATOM 658 CD1 LEU A 45 4.934 -6.559 -9.122 1.00 0.00 C ATOM 659 CD2 LEU A 45 3.923 -8.815 -9.393 1.00 0.00 C ATOM 0 H LEU A 45 4.746 -8.458 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 45 3.261 -6.053 -12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.902 -6.199 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.665 -7.768 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 45 5.345 -7.916 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.700 -6.982 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.339 -5.691 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.077 -6.254 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.691 -9.237 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.071 -8.500 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.600 -9.569 -10.111 1.00 0.00 H new ATOM 671 N MET A 46 6.352 -5.678 -12.289 1.00 0.00 N ATOM 672 CA MET A 46 7.405 -4.704 -12.015 1.00 0.00 C ATOM 673 C MET A 46 7.412 -3.610 -13.083 1.00 0.00 C ATOM 674 O MET A 46 7.463 -2.420 -12.772 1.00 0.00 O ATOM 675 CB MET A 46 8.774 -5.391 -11.993 1.00 0.00 C ATOM 676 CG MET A 46 9.851 -4.393 -11.562 1.00 0.00 C ATOM 677 SD MET A 46 11.410 -5.270 -11.281 1.00 0.00 S ATOM 678 CE MET A 46 11.792 -5.620 -13.015 1.00 0.00 C ATOM 0 H MET A 46 6.679 -6.562 -12.680 1.00 0.00 H new ATOM 0 HA MET A 46 7.207 -4.257 -11.041 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.755 -6.237 -11.307 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.008 -5.787 -12.981 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.984 -3.631 -12.330 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.542 -3.879 -10.652 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.849 -5.869 -13.112 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.188 -6.460 -13.358 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.569 -4.742 -13.621 1.00 0.00 H new ATOM 688 N GLU A 47 7.370 -4.028 -14.345 1.00 0.00 N ATOM 689 CA GLU A 47 7.379 -3.077 -15.455 1.00 0.00 C ATOM 690 C GLU A 47 6.109 -2.231 -15.450 1.00 0.00 C ATOM 691 O GLU A 47 6.161 -1.009 -15.590 1.00 0.00 O ATOM 692 CB GLU A 47 7.481 -3.816 -16.790 1.00 0.00 C ATOM 693 CG GLU A 47 8.852 -4.487 -16.899 1.00 0.00 C ATOM 694 CD GLU A 47 9.170 -4.760 -18.365 1.00 0.00 C ATOM 695 OE1 GLU A 47 9.281 -3.803 -19.115 1.00 0.00 O ATOM 696 OE2 GLU A 47 9.300 -5.921 -18.717 1.00 0.00 O ATOM 0 H GLU A 47 7.330 -5.008 -14.624 1.00 0.00 H new ATOM 0 HA GLU A 47 8.245 -2.427 -15.331 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.691 -4.564 -16.865 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.339 -3.119 -17.616 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.618 -3.846 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.858 -5.420 -16.335 1.00 0.00 H new ATOM 703 N THR A 48 4.968 -2.895 -15.289 1.00 0.00 N ATOM 704 CA THR A 48 3.684 -2.196 -15.269 1.00 0.00 C ATOM 705 C THR A 48 3.640 -1.185 -14.126 1.00 0.00 C ATOM 706 O THR A 48 3.202 -0.047 -14.299 1.00 0.00 O ATOM 707 CB THR A 48 2.537 -3.194 -15.097 1.00 0.00 C ATOM 708 OG1 THR A 48 2.658 -4.224 -16.069 1.00 0.00 O ATOM 709 CG2 THR A 48 1.198 -2.475 -15.278 1.00 0.00 C ATOM 0 H THR A 48 4.904 -3.906 -15.171 1.00 0.00 H new ATOM 0 HA THR A 48 3.572 -1.672 -16.218 1.00 0.00 H new ATOM 0 HB THR A 48 2.581 -3.628 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.275 -4.912 -15.742 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.383 -3.188 -15.155 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.105 -1.685 -14.532 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.151 -2.039 -16.276 1.00 0.00 H new ATOM 717 N ALA A 49 4.098 -1.616 -12.955 1.00 0.00 N ATOM 718 CA ALA A 49 4.107 -0.746 -11.781 1.00 0.00 C ATOM 719 C ALA A 49 5.042 0.443 -11.996 1.00 0.00 C ATOM 720 O ALA A 49 4.838 1.517 -11.430 1.00 0.00 O ATOM 721 CB ALA A 49 4.566 -1.521 -10.545 1.00 0.00 C ATOM 0 H ALA A 49 4.465 -2.554 -12.793 1.00 0.00 H new ATOM 0 HA ALA A 49 3.091 -0.383 -11.628 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.567 -0.858 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.886 -2.353 -10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.573 -1.905 -10.709 1.00 0.00 H new ATOM 727 N ALA A 50 6.072 0.239 -12.815 1.00 0.00 N ATOM 728 CA ALA A 50 7.034 1.302 -13.092 1.00 0.00 C ATOM 729 C ALA A 50 6.368 2.443 -13.856 1.00 0.00 C ATOM 730 O ALA A 50 6.448 3.606 -13.458 1.00 0.00 O ATOM 731 CB ALA A 50 8.202 0.764 -13.920 1.00 0.00 C ATOM 0 H ALA A 50 6.260 -0.642 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 50 7.405 1.674 -12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.909 1.569 -14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.703 -0.032 -13.369 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.827 0.371 -14.865 1.00 0.00 H new ATOM 737 N ARG A 51 5.711 2.099 -14.961 1.00 0.00 N ATOM 738 CA ARG A 51 5.036 3.104 -15.779 1.00 0.00 C ATOM 739 C ARG A 51 3.949 3.808 -14.972 1.00 0.00 C ATOM 740 O ARG A 51 3.670 4.990 -15.177 1.00 0.00 O ATOM 741 CB ARG A 51 4.401 2.454 -17.011 1.00 0.00 C ATOM 742 CG ARG A 51 5.406 2.457 -18.164 1.00 0.00 C ATOM 743 CD ARG A 51 5.016 1.385 -19.182 1.00 0.00 C ATOM 744 NE ARG A 51 5.430 1.778 -20.526 1.00 0.00 N ATOM 745 CZ ARG A 51 6.559 1.315 -21.056 1.00 0.00 C ATOM 746 NH1 ARG A 51 7.708 1.785 -20.656 1.00 0.00 N ATOM 747 NH2 ARG A 51 6.517 0.391 -21.976 1.00 0.00 N ATOM 0 H ARG A 51 5.632 1.143 -15.308 1.00 0.00 H new ATOM 0 HA ARG A 51 5.781 3.833 -16.097 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.098 1.432 -16.781 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.500 2.997 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.426 3.437 -18.641 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.410 2.266 -17.786 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.481 0.436 -18.915 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.937 1.229 -19.159 1.00 0.00 H new ATOM 0 HE ARG A 51 4.846 2.416 -21.066 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.741 2.508 -19.937 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.574 1.430 -21.062 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.618 0.023 -22.289 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.383 0.036 -22.382 1.00 0.00 H new ATOM 761 N LEU A 52 3.338 3.068 -14.052 1.00 0.00 N ATOM 762 CA LEU A 52 2.281 3.629 -13.216 1.00 0.00 C ATOM 763 C LEU A 52 2.859 4.656 -12.247 1.00 0.00 C ATOM 764 O LEU A 52 2.202 5.634 -11.891 1.00 0.00 O ATOM 765 CB LEU A 52 1.586 2.522 -12.419 1.00 0.00 C ATOM 766 CG LEU A 52 0.362 3.095 -11.701 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.745 2.040 -11.654 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.746 3.491 -10.273 1.00 0.00 C ATOM 0 H LEU A 52 3.553 2.088 -13.867 1.00 0.00 H new ATOM 0 HA LEU A 52 1.555 4.115 -13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.284 1.715 -13.086 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.278 2.093 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 52 0.005 3.973 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.616 2.449 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.021 1.756 -12.670 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.388 1.162 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.126 3.899 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.104 2.613 -9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.534 4.244 -10.304 1.00 0.00 H new ATOM 780 N GLU A 53 4.097 4.421 -11.823 1.00 0.00 N ATOM 781 CA GLU A 53 4.761 5.332 -10.894 1.00 0.00 C ATOM 782 C GLU A 53 5.011 6.687 -11.551 1.00 0.00 C ATOM 783 O GLU A 53 5.056 7.716 -10.880 1.00 0.00 O ATOM 784 CB GLU A 53 6.099 4.747 -10.437 1.00 0.00 C ATOM 785 CG GLU A 53 5.863 3.783 -9.273 1.00 0.00 C ATOM 786 CD GLU A 53 7.206 3.355 -8.689 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.841 2.498 -9.281 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.578 3.891 -7.659 1.00 0.00 O ATOM 0 H GLU A 53 4.657 3.616 -12.104 1.00 0.00 H new ATOM 0 HA GLU A 53 4.106 5.465 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.581 4.225 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.772 5.547 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.257 4.264 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.308 2.910 -9.616 1.00 0.00 H new ATOM 795 N SER A 54 5.176 6.677 -12.872 1.00 0.00 N ATOM 796 CA SER A 54 5.424 7.914 -13.609 1.00 0.00 C ATOM 797 C SER A 54 4.204 8.830 -13.554 1.00 0.00 C ATOM 798 O SER A 54 4.329 10.054 -13.608 1.00 0.00 O ATOM 799 CB SER A 54 5.751 7.609 -15.071 1.00 0.00 C ATOM 800 OG SER A 54 7.111 7.210 -15.175 1.00 0.00 O ATOM 0 H SER A 54 5.143 5.836 -13.449 1.00 0.00 H new ATOM 0 HA SER A 54 6.272 8.415 -13.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.099 6.819 -15.444 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.570 8.490 -15.687 1.00 0.00 H new ATOM 0 HG SER A 54 7.323 7.012 -16.111 1.00 0.00 H new ATOM 806 N ARG A 55 3.021 8.227 -13.451 1.00 0.00 N ATOM 807 CA ARG A 55 1.781 9.002 -13.393 1.00 0.00 C ATOM 808 C ARG A 55 1.788 9.944 -12.192 1.00 0.00 C ATOM 809 O ARG A 55 1.755 11.165 -12.343 1.00 0.00 O ATOM 810 CB ARG A 55 0.571 8.070 -13.291 1.00 0.00 C ATOM 811 CG ARG A 55 -0.718 8.883 -13.438 1.00 0.00 C ATOM 812 CD ARG A 55 -1.761 8.062 -14.197 1.00 0.00 C ATOM 813 NE ARG A 55 -2.853 8.917 -14.659 1.00 0.00 N ATOM 814 CZ ARG A 55 -4.122 8.602 -14.414 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.482 8.220 -13.220 1.00 0.00 N ATOM 816 NH2 ARG A 55 -5.008 8.675 -15.370 1.00 0.00 N ATOM 0 H ARG A 55 2.894 7.216 -13.406 1.00 0.00 H new ATOM 0 HA ARG A 55 1.712 9.589 -14.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.621 7.306 -14.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.578 7.552 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.101 9.156 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.515 9.812 -13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.293 7.568 -15.049 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.155 7.278 -13.551 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.638 9.769 -15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.790 8.163 -12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.455 7.979 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.727 8.973 -16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.981 8.434 -15.183 1.00 0.00 H new ATOM 830 N TYR A 56 1.822 9.361 -10.997 1.00 0.00 N ATOM 831 CA TYR A 56 1.826 10.159 -9.770 1.00 0.00 C ATOM 832 C TYR A 56 3.060 11.057 -9.717 1.00 0.00 C ATOM 833 O TYR A 56 3.033 12.137 -9.127 1.00 0.00 O ATOM 834 CB TYR A 56 1.805 9.256 -8.528 1.00 0.00 C ATOM 835 CG TYR A 56 0.743 8.180 -8.675 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.538 8.505 -9.147 1.00 0.00 C ATOM 837 CD2 TYR A 56 1.046 6.854 -8.340 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.509 7.507 -9.281 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.073 5.856 -8.476 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.204 6.183 -8.947 1.00 0.00 C ATOM 841 OH TYR A 56 -2.163 5.199 -9.082 1.00 0.00 O ATOM 0 H TYR A 56 1.847 8.352 -10.850 1.00 0.00 H new ATOM 0 HA TYR A 56 0.928 10.777 -9.776 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.783 8.795 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.606 9.854 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.774 9.526 -9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.031 6.601 -7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.495 7.759 -9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.308 4.834 -8.217 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.111 4.812 -9.981 1.00 0.00 H new ATOM 851 N GLY A 57 4.143 10.602 -10.342 1.00 0.00 N ATOM 852 CA GLY A 57 5.381 11.377 -10.361 1.00 0.00 C ATOM 853 C GLY A 57 6.471 10.691 -9.547 1.00 0.00 C ATOM 854 O GLY A 57 7.608 10.553 -9.998 1.00 0.00 O ATOM 0 H GLY A 57 4.189 9.711 -10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.718 11.505 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.196 12.373 -9.960 1.00 0.00 H new ATOM 858 N VAL A 58 6.117 10.265 -8.338 1.00 0.00 N ATOM 859 CA VAL A 58 7.075 9.599 -7.466 1.00 0.00 C ATOM 860 C VAL A 58 7.582 8.307 -8.109 1.00 0.00 C ATOM 861 O VAL A 58 6.947 7.748 -9.003 1.00 0.00 O ATOM 862 CB VAL A 58 6.429 9.297 -6.106 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.274 8.302 -6.270 1.00 0.00 C ATOM 864 CG2 VAL A 58 7.475 8.713 -5.160 1.00 0.00 C ATOM 0 H VAL A 58 5.182 10.368 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 58 7.925 10.264 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 58 6.037 10.226 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.828 8.099 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.520 8.726 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.652 7.373 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.014 8.499 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.874 7.791 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.284 9.431 -5.025 1.00 0.00 H new ATOM 874 N SER A 59 8.735 7.846 -7.638 1.00 0.00 N ATOM 875 CA SER A 59 9.332 6.622 -8.163 1.00 0.00 C ATOM 876 C SER A 59 10.516 6.196 -7.294 1.00 0.00 C ATOM 877 O SER A 59 11.603 5.901 -7.791 1.00 0.00 O ATOM 878 CB SER A 59 9.808 6.835 -9.603 1.00 0.00 C ATOM 879 OG SER A 59 10.864 7.788 -9.611 1.00 0.00 O ATOM 0 H SER A 59 9.273 8.297 -6.898 1.00 0.00 H new ATOM 0 HA SER A 59 8.574 5.838 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.150 5.892 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.983 7.184 -10.224 1.00 0.00 H new ATOM 0 HG SER A 59 11.623 7.440 -9.098 1.00 0.00 H new ATOM 885 N ILE A 60 10.286 6.170 -5.985 1.00 0.00 N ATOM 886 CA ILE A 60 11.335 5.783 -5.043 1.00 0.00 C ATOM 887 C ILE A 60 11.494 4.255 -4.968 1.00 0.00 C ATOM 888 O ILE A 60 12.620 3.757 -4.987 1.00 0.00 O ATOM 889 CB ILE A 60 11.044 6.331 -3.640 1.00 0.00 C ATOM 890 CG1 ILE A 60 10.738 7.829 -3.729 1.00 0.00 C ATOM 891 CG2 ILE A 60 12.267 6.118 -2.748 1.00 0.00 C ATOM 892 CD1 ILE A 60 10.197 8.321 -2.386 1.00 0.00 C ATOM 0 H ILE A 60 9.393 6.409 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 60 12.266 6.213 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 60 10.186 5.808 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.641 8.380 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.008 8.016 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 60 12.062 6.507 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.489 5.053 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 60 13.123 6.642 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.979 9.387 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.284 7.778 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.941 8.149 -1.609 1.00 0.00 H new ATOM 904 N PRO A 61 10.394 3.479 -4.881 1.00 0.00 N ATOM 905 CA PRO A 61 10.498 2.007 -4.806 1.00 0.00 C ATOM 906 C PRO A 61 10.731 1.361 -6.170 1.00 0.00 C ATOM 907 O PRO A 61 9.797 1.158 -6.944 1.00 0.00 O ATOM 908 CB PRO A 61 9.141 1.608 -4.245 1.00 0.00 C ATOM 909 CG PRO A 61 8.170 2.730 -4.587 1.00 0.00 C ATOM 910 CD PRO A 61 9.001 3.988 -4.855 1.00 0.00 C ATOM 0 HA PRO A 61 11.346 1.681 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.808 0.664 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.197 1.462 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.575 2.469 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.473 2.898 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.727 4.457 -5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.861 4.736 -4.075 1.00 0.00 H new ATOM 918 N ASP A 62 11.990 1.042 -6.451 1.00 0.00 N ATOM 919 CA ASP A 62 12.342 0.416 -7.723 1.00 0.00 C ATOM 920 C ASP A 62 12.521 -1.089 -7.547 1.00 0.00 C ATOM 921 O ASP A 62 11.750 -1.887 -8.077 1.00 0.00 O ATOM 922 CB ASP A 62 13.640 1.012 -8.271 1.00 0.00 C ATOM 923 CG ASP A 62 13.412 2.473 -8.645 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.747 3.161 -7.888 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.906 2.883 -9.682 1.00 0.00 O ATOM 0 H ASP A 62 12.777 1.204 -5.823 1.00 0.00 H new ATOM 0 HA ASP A 62 11.531 0.604 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.431 0.936 -7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.971 0.450 -9.144 1.00 0.00 H new ATOM 930 N ASP A 63 13.554 -1.464 -6.798 1.00 0.00 N ATOM 931 CA ASP A 63 13.837 -2.877 -6.556 1.00 0.00 C ATOM 932 C ASP A 63 12.898 -3.440 -5.493 1.00 0.00 C ATOM 933 O ASP A 63 12.527 -4.613 -5.533 1.00 0.00 O ATOM 934 CB ASP A 63 15.283 -3.061 -6.090 1.00 0.00 C ATOM 935 CG ASP A 63 15.546 -2.171 -4.881 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.124 -2.538 -3.796 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.166 -1.135 -5.056 1.00 0.00 O ATOM 0 H ASP A 63 14.204 -0.817 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 63 13.685 -3.413 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.463 -4.105 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.971 -2.809 -6.897 1.00 0.00 H new ATOM 942 N VAL A 64 12.521 -2.592 -4.541 1.00 0.00 N ATOM 943 CA VAL A 64 11.627 -3.016 -3.465 1.00 0.00 C ATOM 944 C VAL A 64 10.278 -3.462 -4.038 1.00 0.00 C ATOM 945 O VAL A 64 9.715 -4.474 -3.623 1.00 0.00 O ATOM 946 CB VAL A 64 11.418 -1.869 -2.462 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.743 -0.679 -3.151 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.544 -2.346 -1.298 1.00 0.00 C ATOM 0 H VAL A 64 12.816 -1.617 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 64 12.085 -3.859 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 64 12.391 -1.557 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.601 0.126 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.372 -0.327 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.775 -0.988 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.400 -1.528 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.576 -2.670 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.033 -3.179 -0.794 1.00 0.00 H new ATOM 958 N ALA A 65 9.772 -2.686 -4.990 1.00 0.00 N ATOM 959 CA ALA A 65 8.490 -2.997 -5.615 1.00 0.00 C ATOM 960 C ALA A 65 8.647 -4.123 -6.634 1.00 0.00 C ATOM 961 O ALA A 65 7.728 -4.911 -6.856 1.00 0.00 O ATOM 962 CB ALA A 65 7.925 -1.764 -6.320 1.00 0.00 C ATOM 0 H ALA A 65 10.225 -1.843 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 65 7.804 -3.314 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.969 -2.014 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.780 -0.964 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.623 -1.433 -7.089 1.00 0.00 H new ATOM 968 N GLY A 66 9.822 -4.186 -7.254 1.00 0.00 N ATOM 969 CA GLY A 66 10.092 -5.217 -8.255 1.00 0.00 C ATOM 970 C GLY A 66 9.946 -6.614 -7.658 1.00 0.00 C ATOM 971 O GLY A 66 9.423 -7.525 -8.298 1.00 0.00 O ATOM 0 H GLY A 66 10.596 -3.543 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.405 -5.103 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.100 -5.090 -8.649 1.00 0.00 H new ATOM 975 N ARG A 67 10.418 -6.772 -6.425 1.00 0.00 N ATOM 976 CA ARG A 67 10.338 -8.064 -5.751 1.00 0.00 C ATOM 977 C ARG A 67 9.232 -8.049 -4.697 1.00 0.00 C ATOM 978 O ARG A 67 9.419 -8.504 -3.566 1.00 0.00 O ATOM 979 CB ARG A 67 11.675 -8.400 -5.083 1.00 0.00 C ATOM 980 CG ARG A 67 12.769 -8.492 -6.148 1.00 0.00 C ATOM 981 CD ARG A 67 12.686 -9.848 -6.850 1.00 0.00 C ATOM 982 NE ARG A 67 13.476 -10.848 -6.137 1.00 0.00 N ATOM 983 CZ ARG A 67 13.111 -12.126 -6.121 1.00 0.00 C ATOM 984 NH1 ARG A 67 13.036 -12.797 -7.239 1.00 0.00 N ATOM 985 NH2 ARG A 67 12.828 -12.711 -4.989 1.00 0.00 N ATOM 0 H ARG A 67 10.855 -6.031 -5.877 1.00 0.00 H new ATOM 0 HA ARG A 67 10.109 -8.824 -6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.930 -7.635 -4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.597 -9.344 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.653 -7.687 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.750 -8.368 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.646 -10.171 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.047 -9.755 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 67 14.321 -10.561 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.257 -12.340 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.756 -13.778 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.887 -12.187 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.548 -13.692 -4.978 1.00 0.00 H new ATOM 999 N VAL A 68 8.073 -7.520 -5.080 1.00 0.00 N ATOM 1000 CA VAL A 68 6.941 -7.451 -4.161 1.00 0.00 C ATOM 1001 C VAL A 68 6.285 -8.826 -4.019 1.00 0.00 C ATOM 1002 O VAL A 68 5.699 -9.353 -4.966 1.00 0.00 O ATOM 1003 CB VAL A 68 5.908 -6.420 -4.653 1.00 0.00 C ATOM 1004 CG1 VAL A 68 5.333 -6.847 -6.008 1.00 0.00 C ATOM 1005 CG2 VAL A 68 4.770 -6.298 -3.633 1.00 0.00 C ATOM 0 H VAL A 68 7.894 -7.137 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 68 7.310 -7.136 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 68 6.404 -5.456 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.604 -6.109 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.139 -6.919 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.846 -7.817 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.042 -5.567 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.284 -7.266 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.174 -5.974 -2.674 1.00 0.00 H new ATOM 1015 N ASP A 69 6.393 -9.396 -2.824 1.00 0.00 N ATOM 1016 CA ASP A 69 5.808 -10.709 -2.557 1.00 0.00 C ATOM 1017 C ASP A 69 4.448 -10.581 -1.863 1.00 0.00 C ATOM 1018 O ASP A 69 3.687 -11.545 -1.793 1.00 0.00 O ATOM 1019 CB ASP A 69 6.740 -11.539 -1.673 1.00 0.00 C ATOM 1020 CG ASP A 69 7.719 -12.314 -2.549 1.00 0.00 C ATOM 1021 OD1 ASP A 69 7.279 -12.882 -3.535 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.894 -12.328 -2.221 1.00 0.00 O ATOM 0 H ASP A 69 6.875 -8.976 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 69 5.670 -11.206 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.285 -10.888 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.159 -12.229 -1.061 1.00 0.00 H new ATOM 1027 N THR A 70 4.146 -9.387 -1.347 1.00 0.00 N ATOM 1028 CA THR A 70 2.874 -9.167 -0.667 1.00 0.00 C ATOM 1029 C THR A 70 2.095 -8.039 -1.353 1.00 0.00 C ATOM 1030 O THR A 70 2.685 -7.197 -2.029 1.00 0.00 O ATOM 1031 CB THR A 70 3.107 -8.793 0.798 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.342 -8.101 0.919 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.144 -10.062 1.648 1.00 0.00 C ATOM 0 H THR A 70 4.757 -8.571 -1.387 1.00 0.00 H new ATOM 0 HA THR A 70 2.299 -10.092 -0.716 1.00 0.00 H new ATOM 0 HB THR A 70 2.297 -8.150 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.569 -8.000 1.867 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.310 -9.796 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.195 -10.590 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.953 -10.706 1.305 1.00 0.00 H new ATOM 1041 N PRO A 71 0.762 -8.002 -1.191 1.00 0.00 N ATOM 1042 CA PRO A 71 -0.068 -6.954 -1.812 1.00 0.00 C ATOM 1043 C PRO A 71 -0.059 -5.662 -1.002 1.00 0.00 C ATOM 1044 O PRO A 71 0.286 -4.595 -1.509 1.00 0.00 O ATOM 1045 CB PRO A 71 -1.452 -7.581 -1.796 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.459 -8.612 -0.672 1.00 0.00 C ATOM 1047 CD PRO A 71 -0.001 -8.987 -0.388 1.00 0.00 C ATOM 0 HA PRO A 71 0.284 -6.669 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.217 -6.823 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.673 -8.052 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.932 -8.203 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.033 -9.492 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.235 -8.911 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.218 -10.011 -0.691 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.439 -5.776 0.273 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.470 -4.618 1.169 1.00 0.00 C ATOM 1057 C ARG A 72 0.871 -3.878 1.167 1.00 0.00 C ATOM 1058 O ARG A 72 0.934 -2.689 1.470 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.777 -5.063 2.599 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.389 -3.894 3.377 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.220 -4.432 4.544 1.00 0.00 C ATOM 1062 NE ARG A 72 -1.440 -5.372 5.344 1.00 0.00 N ATOM 1063 CZ ARG A 72 -2.016 -6.422 5.922 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -2.197 -7.521 5.244 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -2.401 -6.351 7.167 1.00 0.00 N ATOM 0 H ARG A 72 -0.728 -6.653 0.706 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.250 -3.947 0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.466 -5.907 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.135 -5.402 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.601 -3.240 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.016 -3.294 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.555 -3.605 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.114 -4.926 4.163 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.438 -5.221 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.897 -7.575 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.639 -8.327 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.260 -5.490 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.843 -7.156 7.611 1.00 0.00 H new ATOM 1079 N GLU A 73 1.940 -4.596 0.827 1.00 0.00 N ATOM 1080 CA GLU A 73 3.270 -3.993 0.793 1.00 0.00 C ATOM 1081 C GLU A 73 3.392 -3.028 -0.384 1.00 0.00 C ATOM 1082 O GLU A 73 3.914 -1.923 -0.248 1.00 0.00 O ATOM 1083 CB GLU A 73 4.343 -5.080 0.664 1.00 0.00 C ATOM 1084 CG GLU A 73 5.734 -4.453 0.801 1.00 0.00 C ATOM 1085 CD GLU A 73 6.641 -5.384 1.599 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.341 -5.620 2.758 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.621 -5.848 1.041 1.00 0.00 O ATOM 0 H GLU A 73 1.912 -5.584 0.574 1.00 0.00 H new ATOM 0 HA GLU A 73 3.416 -3.445 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.199 -5.840 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.253 -5.581 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.160 -4.272 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.660 -3.486 1.299 1.00 0.00 H new ATOM 1094 N LEU A 74 2.910 -3.464 -1.545 1.00 0.00 N ATOM 1095 CA LEU A 74 2.974 -2.637 -2.752 1.00 0.00 C ATOM 1096 C LEU A 74 2.236 -1.312 -2.544 1.00 0.00 C ATOM 1097 O LEU A 74 2.732 -0.246 -2.911 1.00 0.00 O ATOM 1098 CB LEU A 74 2.351 -3.388 -3.942 1.00 0.00 C ATOM 1099 CG LEU A 74 3.348 -3.450 -5.102 1.00 0.00 C ATOM 1100 CD1 LEU A 74 3.009 -4.638 -6.004 1.00 0.00 C ATOM 1101 CD2 LEU A 74 3.267 -2.156 -5.915 1.00 0.00 C ATOM 0 H LEU A 74 2.474 -4.377 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 74 4.023 -2.426 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.070 -4.397 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.438 -2.885 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 74 4.357 -3.569 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.719 -4.682 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.066 -5.561 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.000 -4.519 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.977 -2.200 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.258 -2.037 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.508 -1.308 -5.274 1.00 0.00 H new ATOM 1113 N LEU A 75 1.043 -1.394 -1.961 1.00 0.00 N ATOM 1114 CA LEU A 75 0.239 -0.197 -1.716 1.00 0.00 C ATOM 1115 C LEU A 75 0.970 0.759 -0.781 1.00 0.00 C ATOM 1116 O LEU A 75 1.154 1.925 -1.099 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.116 -0.585 -1.106 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.986 0.659 -0.876 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.732 1.018 -2.162 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.999 0.360 0.231 1.00 0.00 C ATOM 0 H LEU A 75 0.614 -2.266 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 75 0.073 0.305 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.633 -1.279 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.959 -1.105 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.352 1.497 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.347 1.901 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.013 1.224 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.369 0.184 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.622 1.238 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.628 -0.478 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.470 0.107 1.150 1.00 0.00 H new ATOM 1132 N ASP A 76 1.381 0.259 0.376 1.00 0.00 N ATOM 1133 CA ASP A 76 2.094 1.098 1.338 1.00 0.00 C ATOM 1134 C ASP A 76 3.403 1.629 0.740 1.00 0.00 C ATOM 1135 O ASP A 76 3.976 2.598 1.237 1.00 0.00 O ATOM 1136 CB ASP A 76 2.412 0.307 2.608 1.00 0.00 C ATOM 1137 CG ASP A 76 2.661 1.272 3.761 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.727 1.951 4.152 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.785 1.319 4.235 1.00 0.00 O ATOM 0 H ASP A 76 1.238 -0.707 0.671 1.00 0.00 H new ATOM 0 HA ASP A 76 1.446 1.939 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.584 -0.360 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.290 -0.319 2.448 1.00 0.00 H new ATOM 1144 N LEU A 77 3.875 0.979 -0.327 1.00 0.00 N ATOM 1145 CA LEU A 77 5.117 1.387 -0.976 1.00 0.00 C ATOM 1146 C LEU A 77 4.931 2.688 -1.760 1.00 0.00 C ATOM 1147 O LEU A 77 5.401 3.750 -1.351 1.00 0.00 O ATOM 1148 CB LEU A 77 5.585 0.285 -1.943 1.00 0.00 C ATOM 1149 CG LEU A 77 6.839 -0.412 -1.409 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.967 0.606 -1.204 1.00 0.00 C ATOM 1151 CD2 LEU A 77 6.522 -1.103 -0.079 1.00 0.00 C ATOM 0 H LEU A 77 3.418 0.174 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 77 5.864 1.549 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.788 -0.446 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.793 0.718 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 77 7.162 -1.156 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.852 0.096 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.203 1.084 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.648 1.363 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.418 -1.598 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.186 -0.361 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.736 -1.843 -0.232 1.00 0.00 H new ATOM 1163 N ILE A 78 4.255 2.581 -2.903 1.00 0.00 N ATOM 1164 CA ILE A 78 4.021 3.747 -3.766 1.00 0.00 C ATOM 1165 C ILE A 78 3.305 4.861 -2.997 1.00 0.00 C ATOM 1166 O ILE A 78 3.571 6.045 -3.194 1.00 0.00 O ATOM 1167 CB ILE A 78 3.176 3.343 -4.985 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.905 2.248 -5.772 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.956 4.552 -5.900 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.989 1.718 -6.877 1.00 0.00 C ATOM 0 H ILE A 78 3.861 1.708 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 78 4.990 4.118 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 78 2.211 2.974 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.822 2.646 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.194 1.436 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.356 4.253 -6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.435 5.335 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.920 4.929 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.507 0.939 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.084 1.304 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.722 2.533 -7.550 1.00 0.00 H new ATOM 1182 N ASN A 79 2.389 4.457 -2.135 1.00 0.00 N ATOM 1183 CA ASN A 79 1.614 5.403 -1.337 1.00 0.00 C ATOM 1184 C ASN A 79 2.511 6.164 -0.366 1.00 0.00 C ATOM 1185 O ASN A 79 2.380 7.376 -0.197 1.00 0.00 O ATOM 1186 CB ASN A 79 0.540 4.656 -0.543 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.544 5.626 -0.090 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.314 6.832 -0.006 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.726 5.161 0.212 1.00 0.00 N ATOM 0 H ASN A 79 2.160 3.478 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 79 1.148 6.115 -2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.102 3.870 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.989 4.170 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.462 5.798 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.914 4.161 0.141 1.00 0.00 H new ATOM 1196 N GLY A 80 3.421 5.439 0.276 1.00 0.00 N ATOM 1197 CA GLY A 80 4.335 6.055 1.236 1.00 0.00 C ATOM 1198 C GLY A 80 5.357 6.955 0.540 1.00 0.00 C ATOM 1199 O GLY A 80 5.924 7.857 1.155 1.00 0.00 O ATOM 0 H GLY A 80 3.546 4.434 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.766 6.640 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.855 5.277 1.795 1.00 0.00 H new ATOM 1203 N ALA A 81 5.594 6.698 -0.744 1.00 0.00 N ATOM 1204 CA ALA A 81 6.558 7.488 -1.504 1.00 0.00 C ATOM 1205 C ALA A 81 5.992 8.866 -1.840 1.00 0.00 C ATOM 1206 O ALA A 81 6.516 9.891 -1.404 1.00 0.00 O ATOM 1207 CB ALA A 81 6.927 6.771 -2.803 1.00 0.00 C ATOM 0 H ALA A 81 5.137 5.957 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 81 7.447 7.609 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.646 7.372 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.367 5.801 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.031 6.628 -3.407 1.00 0.00 H new ATOM 1213 N LEU A 82 4.920 8.879 -2.628 1.00 0.00 N ATOM 1214 CA LEU A 82 4.293 10.138 -3.026 1.00 0.00 C ATOM 1215 C LEU A 82 3.790 10.910 -1.808 1.00 0.00 C ATOM 1216 O LEU A 82 3.713 12.139 -1.827 1.00 0.00 O ATOM 1217 CB LEU A 82 3.120 9.878 -3.976 1.00 0.00 C ATOM 1218 CG LEU A 82 2.120 8.924 -3.317 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.999 9.731 -2.658 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.523 7.994 -4.379 1.00 0.00 C ATOM 0 H LEU A 82 4.471 8.042 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 82 5.049 10.735 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.628 10.818 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.484 9.449 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 82 2.632 8.330 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.288 9.051 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.422 10.391 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.487 10.327 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.811 7.315 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.012 8.588 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.320 7.417 -4.847 1.00 0.00 H new ATOM 1232 N ALA A 83 3.449 10.182 -0.749 1.00 0.00 N ATOM 1233 CA ALA A 83 2.954 10.817 0.471 1.00 0.00 C ATOM 1234 C ALA A 83 4.034 11.700 1.090 1.00 0.00 C ATOM 1235 O ALA A 83 3.744 12.749 1.664 1.00 0.00 O ATOM 1236 CB ALA A 83 2.530 9.759 1.492 1.00 0.00 C ATOM 0 H ALA A 83 3.505 9.164 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 83 2.093 11.430 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.164 10.250 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.738 9.141 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.385 9.131 1.742 1.00 0.00 H new ATOM 1242 N GLU A 84 5.283 11.260 0.968 1.00 0.00 N ATOM 1243 CA GLU A 84 6.406 12.015 1.520 1.00 0.00 C ATOM 1244 C GLU A 84 6.511 13.390 0.864 1.00 0.00 C ATOM 1245 O GLU A 84 6.991 14.346 1.475 1.00 0.00 O ATOM 1246 CB GLU A 84 7.717 11.259 1.301 1.00 0.00 C ATOM 1247 CG GLU A 84 7.889 10.205 2.396 1.00 0.00 C ATOM 1248 CD GLU A 84 9.373 9.998 2.675 1.00 0.00 C ATOM 1249 OE1 GLU A 84 10.101 10.976 2.655 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.760 8.863 2.904 1.00 0.00 O ATOM 0 H GLU A 84 5.543 10.393 0.497 1.00 0.00 H new ATOM 0 HA GLU A 84 6.229 12.139 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.715 10.783 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.556 11.954 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.378 10.523 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.432 9.265 2.086 1.00 0.00 H new ATOM 1257 N ALA A 85 6.060 13.482 -0.386 1.00 0.00 N ATOM 1258 CA ALA A 85 6.113 14.748 -1.118 1.00 0.00 C ATOM 1259 C ALA A 85 5.331 15.832 -0.379 1.00 0.00 C ATOM 1260 O ALA A 85 5.841 16.924 -0.129 1.00 0.00 O ATOM 1261 CB ALA A 85 5.524 14.580 -2.520 1.00 0.00 C ATOM 0 H ALA A 85 5.658 12.704 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 85 7.159 15.045 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.571 15.531 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.095 13.830 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.485 14.259 -2.442 1.00 0.00 H new ATOM 1267 N ALA A 86 4.086 15.517 -0.033 1.00 0.00 N ATOM 1268 CA ALA A 86 3.239 16.472 0.678 1.00 0.00 C ATOM 1269 C ALA A 86 2.243 15.738 1.571 1.00 0.00 C ATOM 1270 O ALA A 86 1.724 16.361 2.482 1.00 0.00 O ATOM 1271 CB ALA A 86 2.469 17.346 -0.313 1.00 0.00 C ATOM 1272 OXT ALA A 86 2.016 14.563 1.331 1.00 0.00 O ATOM 0 H ALA A 86 3.644 14.619 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 86 3.883 17.101 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.843 18.051 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.174 17.895 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.841 16.716 -0.942 1.00 0.00 H new