USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 385 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 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -169:sc= -3.08 (180deg=-3.35!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 43:sc= 0.172 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 53:sc= 1.16 USER MOD Single : A 159 THR OG1 : rot -89:sc= 0.124 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -104:sc= 0.647 USER MOD Single : A 172 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00843) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0.0723 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 14.826 -8.477 6.254 1.00 0.00 N ATOM 2 CA GLY A 125 13.353 -8.460 6.471 1.00 0.00 C ATOM 3 C GLY A 125 12.981 -8.135 7.905 1.00 0.00 C ATOM 4 O GLY A 125 13.729 -8.441 8.832 1.00 0.00 O ATOM 0 HA2 GLY A 125 12.899 -7.725 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 125 12.938 -9.432 6.203 1.00 0.00 H new ATOM 10 N SER A 126 11.821 -7.511 8.086 1.00 0.00 N ATOM 11 CA SER A 126 11.351 -7.143 9.416 1.00 0.00 C ATOM 12 C SER A 126 12.319 -6.176 10.087 1.00 0.00 C ATOM 13 O SER A 126 12.470 -6.181 11.310 1.00 0.00 O ATOM 14 CB SER A 126 11.175 -8.392 10.282 1.00 0.00 C ATOM 15 OG SER A 126 9.856 -8.899 10.187 1.00 0.00 O ATOM 0 H SER A 126 11.190 -7.250 7.328 1.00 0.00 H new ATOM 0 HA SER A 126 10.387 -6.646 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 126 11.885 -9.158 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 126 11.401 -8.152 11.321 1.00 0.00 H new ATOM 0 HG SER A 126 9.771 -9.698 10.748 1.00 0.00 H new ATOM 21 N ARG A 127 12.974 -5.346 9.282 1.00 0.00 N ATOM 22 CA ARG A 127 13.929 -4.372 9.799 1.00 0.00 C ATOM 23 C ARG A 127 13.430 -2.948 9.571 1.00 0.00 C ATOM 24 O ARG A 127 13.248 -2.184 10.518 1.00 0.00 O ATOM 25 CB ARG A 127 15.292 -4.561 9.134 1.00 0.00 C ATOM 26 CG ARG A 127 16.227 -5.474 9.911 1.00 0.00 C ATOM 27 CD ARG A 127 16.669 -4.837 11.220 1.00 0.00 C ATOM 28 NE ARG A 127 16.633 -5.786 12.329 1.00 0.00 N ATOM 29 CZ ARG A 127 17.576 -6.699 12.555 1.00 0.00 C ATOM 30 NH1 ARG A 127 18.628 -6.790 11.751 1.00 0.00 N ATOM 31 NH2 ARG A 127 17.467 -7.522 13.589 1.00 0.00 N ATOM 0 H ARG A 127 12.861 -5.328 8.268 1.00 0.00 H new ATOM 0 HA ARG A 127 14.032 -4.534 10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.146 -4.970 8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.766 -3.587 9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.726 -6.420 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 127 17.102 -5.703 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.681 -4.446 11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.023 -3.989 11.447 1.00 0.00 H new ATOM 0 HE ARG A 127 15.839 -5.748 12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 127 18.718 -6.159 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 127 19.347 -7.491 11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.661 -7.456 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.189 -8.221 13.762 1.00 0.00 H new ATOM 45 N GLU A 128 13.210 -2.599 8.307 1.00 0.00 N ATOM 46 CA GLU A 128 12.731 -1.268 7.953 1.00 0.00 C ATOM 47 C GLU A 128 11.529 -1.354 7.019 1.00 0.00 C ATOM 48 O GLU A 128 11.546 -2.098 6.038 1.00 0.00 O ATOM 49 CB GLU A 128 13.850 -0.460 7.292 1.00 0.00 C ATOM 50 CG GLU A 128 15.108 -0.359 8.137 1.00 0.00 C ATOM 51 CD GLU A 128 15.217 0.968 8.864 1.00 0.00 C ATOM 52 OE1 GLU A 128 14.194 1.431 9.412 1.00 0.00 O ATOM 53 OE2 GLU A 128 16.326 1.544 8.886 1.00 0.00 O ATOM 0 H GLU A 128 13.356 -3.220 7.511 1.00 0.00 H new ATOM 0 HA GLU A 128 12.421 -0.764 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 128 14.101 -0.918 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 128 13.484 0.544 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 128 15.118 -1.170 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 128 15.982 -0.492 7.499 1.00 0.00 H new ATOM 60 N VAL A 129 10.488 -0.590 7.329 1.00 0.00 N ATOM 61 CA VAL A 129 9.277 -0.582 6.518 1.00 0.00 C ATOM 62 C VAL A 129 9.355 0.479 5.431 1.00 0.00 C ATOM 63 O VAL A 129 9.324 1.676 5.720 1.00 0.00 O ATOM 64 CB VAL A 129 8.023 -0.309 7.367 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.787 -0.886 6.694 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.181 -0.868 8.775 1.00 0.00 C ATOM 0 H VAL A 129 10.459 0.032 8.137 1.00 0.00 H new ATOM 0 HA VAL A 129 9.200 -1.573 6.070 1.00 0.00 H new ATOM 0 HB VAL A 129 7.899 0.771 7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.910 -0.683 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.658 -0.426 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.906 -1.963 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.280 -0.660 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.339 -1.945 8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 129 9.038 -0.399 9.259 1.00 0.00 H new ATOM 76 N ALA A 130 9.445 0.042 4.183 1.00 0.00 N ATOM 77 CA ALA A 130 9.512 0.972 3.068 1.00 0.00 C ATOM 78 C ALA A 130 8.137 1.173 2.446 1.00 0.00 C ATOM 79 O ALA A 130 7.286 0.285 2.491 1.00 0.00 O ATOM 80 CB ALA A 130 10.498 0.480 2.018 1.00 0.00 C ATOM 0 H ALA A 130 9.473 -0.943 3.919 1.00 0.00 H new ATOM 0 HA ALA A 130 9.860 1.932 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.534 1.190 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.489 0.391 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.178 -0.494 1.646 1.00 0.00 H new ATOM 86 N ALA A 131 7.932 2.342 1.860 1.00 0.00 N ATOM 87 CA ALA A 131 6.667 2.663 1.216 1.00 0.00 C ATOM 88 C ALA A 131 6.878 3.635 0.060 1.00 0.00 C ATOM 89 O ALA A 131 6.940 4.845 0.264 1.00 0.00 O ATOM 90 CB ALA A 131 5.691 3.246 2.228 1.00 0.00 C ATOM 0 H ALA A 131 8.628 3.087 1.817 1.00 0.00 H new ATOM 0 HA ALA A 131 6.245 1.742 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.749 3.481 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.512 2.520 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.112 4.155 2.657 1.00 0.00 H new ATOM 96 N MET A 132 6.995 3.101 -1.156 1.00 0.00 N ATOM 97 CA MET A 132 7.203 3.941 -2.335 1.00 0.00 C ATOM 98 C MET A 132 6.208 5.105 -2.361 1.00 0.00 C ATOM 99 O MET A 132 5.234 5.115 -1.607 1.00 0.00 O ATOM 100 CB MET A 132 7.098 3.108 -3.618 1.00 0.00 C ATOM 101 CG MET A 132 5.808 2.313 -3.741 1.00 0.00 C ATOM 102 SD MET A 132 5.596 1.593 -5.381 1.00 0.00 S ATOM 103 CE MET A 132 7.168 0.762 -5.594 1.00 0.00 C ATOM 0 H MET A 132 6.950 2.101 -1.349 1.00 0.00 H new ATOM 0 HA MET A 132 8.208 4.359 -2.279 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.185 3.773 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.942 2.419 -3.661 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.802 1.518 -2.995 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.961 2.963 -3.521 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.270 0.436 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.979 1.448 -5.348 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.214 -0.105 -4.935 1.00 0.00 H new ATOM 113 N PRO A 133 6.451 6.113 -3.218 1.00 0.00 N ATOM 114 CA PRO A 133 5.584 7.297 -3.325 1.00 0.00 C ATOM 115 C PRO A 133 4.194 6.970 -3.855 1.00 0.00 C ATOM 116 O PRO A 133 3.188 7.412 -3.299 1.00 0.00 O ATOM 117 CB PRO A 133 6.328 8.209 -4.313 1.00 0.00 C ATOM 118 CG PRO A 133 7.715 7.666 -4.386 1.00 0.00 C ATOM 119 CD PRO A 133 7.590 6.191 -4.141 1.00 0.00 C ATOM 0 HA PRO A 133 5.413 7.750 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.850 8.199 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.329 9.243 -3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.162 7.864 -5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.358 8.133 -3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.402 5.642 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.497 5.775 -3.702 1.00 0.00 H new ATOM 127 N ALA A 134 4.143 6.204 -4.935 1.00 0.00 N ATOM 128 CA ALA A 134 2.876 5.825 -5.548 1.00 0.00 C ATOM 129 C ALA A 134 1.940 5.174 -4.533 1.00 0.00 C ATOM 130 O ALA A 134 0.780 5.565 -4.398 1.00 0.00 O ATOM 131 CB ALA A 134 3.129 4.888 -6.720 1.00 0.00 C ATOM 0 H ALA A 134 4.967 5.831 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 134 2.388 6.729 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.178 4.608 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.751 5.391 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.640 3.992 -6.366 1.00 0.00 H new ATOM 137 N ALA A 135 2.457 4.178 -3.820 1.00 0.00 N ATOM 138 CA ALA A 135 1.675 3.466 -2.817 1.00 0.00 C ATOM 139 C ALA A 135 1.373 4.360 -1.621 1.00 0.00 C ATOM 140 O ALA A 135 0.306 4.265 -1.014 1.00 0.00 O ATOM 141 CB ALA A 135 2.410 2.212 -2.377 1.00 0.00 C ATOM 0 H ALA A 135 3.416 3.846 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 135 0.724 3.177 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.818 1.687 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.566 1.561 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.375 2.487 -1.950 1.00 0.00 H new ATOM 147 N ARG A 136 2.316 5.232 -1.293 1.00 0.00 N ATOM 148 CA ARG A 136 2.150 6.152 -0.176 1.00 0.00 C ATOM 149 C ARG A 136 1.063 7.170 -0.484 1.00 0.00 C ATOM 150 O ARG A 136 0.166 7.412 0.326 1.00 0.00 O ATOM 151 CB ARG A 136 3.465 6.877 0.101 1.00 0.00 C ATOM 152 CG ARG A 136 4.246 6.289 1.259 1.00 0.00 C ATOM 153 CD ARG A 136 4.387 7.280 2.403 1.00 0.00 C ATOM 154 NE ARG A 136 5.160 8.458 2.015 1.00 0.00 N ATOM 155 CZ ARG A 136 5.263 9.557 2.760 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.647 9.631 3.933 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.985 10.582 2.332 1.00 0.00 N ATOM 0 H ARG A 136 3.205 5.322 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 136 1.859 5.579 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.083 6.848 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.256 7.926 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.745 5.389 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.235 5.987 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.397 7.590 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.871 6.791 3.248 1.00 0.00 H new ATOM 0 HE ARG A 136 5.650 8.437 1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 136 4.091 8.844 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.729 10.475 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.462 10.529 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.064 11.424 2.903 1.00 0.00 H new ATOM 171 N ARG A 137 1.158 7.760 -1.666 1.00 0.00 N ATOM 172 CA ARG A 137 0.196 8.760 -2.108 1.00 0.00 C ATOM 173 C ARG A 137 -1.218 8.196 -2.107 1.00 0.00 C ATOM 174 O ARG A 137 -2.117 8.748 -1.472 1.00 0.00 O ATOM 175 CB ARG A 137 0.551 9.249 -3.511 1.00 0.00 C ATOM 176 CG ARG A 137 -0.304 10.415 -3.982 1.00 0.00 C ATOM 177 CD ARG A 137 0.253 11.036 -5.254 1.00 0.00 C ATOM 178 NE ARG A 137 1.052 12.227 -4.977 1.00 0.00 N ATOM 179 CZ ARG A 137 0.557 13.349 -4.461 1.00 0.00 C ATOM 180 NH1 ARG A 137 -0.734 13.439 -4.166 1.00 0.00 N ATOM 181 NH2 ARG A 137 1.354 14.385 -4.239 1.00 0.00 N ATOM 0 H ARG A 137 1.897 7.562 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 137 0.237 9.597 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.599 9.547 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.443 8.423 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.323 10.072 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.354 11.171 -3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.866 10.302 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.569 11.298 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 137 2.049 12.197 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.352 12.645 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.108 14.302 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 137 2.347 14.322 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.974 15.245 -3.843 1.00 0.00 H new ATOM 195 N LEU A 138 -1.410 7.094 -2.823 1.00 0.00 N ATOM 196 CA LEU A 138 -2.709 6.460 -2.905 1.00 0.00 C ATOM 197 C LEU A 138 -3.176 6.012 -1.525 1.00 0.00 C ATOM 198 O LEU A 138 -4.340 6.165 -1.181 1.00 0.00 O ATOM 199 CB LEU A 138 -2.639 5.267 -3.854 1.00 0.00 C ATOM 200 CG LEU A 138 -1.783 4.109 -3.368 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.576 3.216 -2.432 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.263 3.316 -4.552 1.00 0.00 C ATOM 0 H LEU A 138 -0.677 6.624 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.429 7.182 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.651 4.902 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.251 5.608 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.933 4.509 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.947 2.393 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.908 3.796 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.444 2.817 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.651 2.488 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.103 2.925 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.661 3.965 -5.188 1.00 0.00 H new ATOM 214 N ALA A 139 -2.259 5.455 -0.739 1.00 0.00 N ATOM 215 CA ALA A 139 -2.590 4.988 0.603 1.00 0.00 C ATOM 216 C ALA A 139 -3.194 6.111 1.436 1.00 0.00 C ATOM 217 O ALA A 139 -4.123 5.892 2.215 1.00 0.00 O ATOM 218 CB ALA A 139 -1.352 4.426 1.286 1.00 0.00 C ATOM 0 H ALA A 139 -1.285 5.317 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.332 4.195 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.613 4.081 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.963 3.590 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.591 5.203 1.357 1.00 0.00 H new ATOM 224 N LYS A 140 -2.660 7.317 1.262 1.00 0.00 N ATOM 225 CA LYS A 140 -3.143 8.484 1.991 1.00 0.00 C ATOM 226 C LYS A 140 -4.453 8.996 1.398 1.00 0.00 C ATOM 227 O LYS A 140 -5.298 9.536 2.112 1.00 0.00 O ATOM 228 CB LYS A 140 -2.092 9.594 1.970 1.00 0.00 C ATOM 229 CG LYS A 140 -2.473 10.807 2.804 1.00 0.00 C ATOM 230 CD LYS A 140 -1.458 11.073 3.905 1.00 0.00 C ATOM 231 CE LYS A 140 -1.836 10.362 5.195 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.611 11.222 6.390 1.00 0.00 N ATOM 0 H LYS A 140 -1.891 7.511 0.621 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.327 8.185 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.146 9.194 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.928 9.909 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.549 11.683 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.457 10.650 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.472 10.740 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.389 12.146 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -2.884 10.066 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.251 9.448 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.881 10.701 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.606 11.484 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.189 12.083 6.312 1.00 0.00 H new ATOM 246 N GLU A 141 -4.616 8.823 0.089 1.00 0.00 N ATOM 247 CA GLU A 141 -5.827 9.269 -0.594 1.00 0.00 C ATOM 248 C GLU A 141 -6.954 8.248 -0.436 1.00 0.00 C ATOM 249 O GLU A 141 -8.131 8.576 -0.580 1.00 0.00 O ATOM 250 CB GLU A 141 -5.538 9.509 -2.079 1.00 0.00 C ATOM 251 CG GLU A 141 -6.766 9.901 -2.886 1.00 0.00 C ATOM 252 CD GLU A 141 -6.457 10.932 -3.953 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.415 10.796 -4.628 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.257 11.878 -4.113 1.00 0.00 O ATOM 0 H GLU A 141 -3.927 8.379 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.149 10.205 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.788 10.294 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.107 8.604 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.186 9.012 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.527 10.296 -2.213 1.00 0.00 H new ATOM 261 N LEU A 142 -6.578 7.010 -0.139 1.00 0.00 N ATOM 262 CA LEU A 142 -7.534 5.929 0.043 1.00 0.00 C ATOM 263 C LEU A 142 -7.880 5.762 1.517 1.00 0.00 C ATOM 264 O LEU A 142 -8.974 5.317 1.864 1.00 0.00 O ATOM 265 CB LEU A 142 -6.946 4.623 -0.497 1.00 0.00 C ATOM 266 CG LEU A 142 -7.048 4.439 -2.012 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.744 3.889 -2.576 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.209 3.517 -2.354 1.00 0.00 C ATOM 0 H LEU A 142 -5.605 6.730 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.444 6.174 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.896 4.571 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.451 3.788 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.231 5.412 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.838 3.765 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.932 4.583 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.528 2.924 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.270 3.395 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.051 2.545 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.139 3.950 -1.985 1.00 0.00 H new ATOM 280 N GLY A 143 -6.932 6.113 2.380 1.00 0.00 N ATOM 281 CA GLY A 143 -7.143 5.987 3.808 1.00 0.00 C ATOM 282 C GLY A 143 -6.938 4.567 4.284 1.00 0.00 C ATOM 283 O GLY A 143 -7.714 4.052 5.089 1.00 0.00 O ATOM 0 H GLY A 143 -6.020 6.483 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.458 6.650 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.154 6.311 4.056 1.00 0.00 H new ATOM 287 N ILE A 144 -5.889 3.931 3.777 1.00 0.00 N ATOM 288 CA ILE A 144 -5.578 2.557 4.142 1.00 0.00 C ATOM 289 C ILE A 144 -4.226 2.469 4.846 1.00 0.00 C ATOM 290 O ILE A 144 -3.224 2.987 4.351 1.00 0.00 O ATOM 291 CB ILE A 144 -5.584 1.642 2.897 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.919 0.199 3.293 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.255 1.722 2.153 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.711 -0.671 3.568 1.00 0.00 C ATOM 0 H ILE A 144 -5.239 4.347 3.110 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.351 2.216 4.831 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.360 1.992 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.549 0.216 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.506 -0.257 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.286 1.069 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.079 2.748 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.448 1.406 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.039 -1.674 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.089 -0.723 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.133 -0.243 4.387 1.00 0.00 H new ATOM 306 N ASP A 145 -4.204 1.813 5.999 1.00 0.00 N ATOM 307 CA ASP A 145 -2.973 1.660 6.768 1.00 0.00 C ATOM 308 C ASP A 145 -1.885 0.998 5.928 1.00 0.00 C ATOM 309 O ASP A 145 -1.883 -0.220 5.751 1.00 0.00 O ATOM 310 CB ASP A 145 -3.235 0.829 8.024 1.00 0.00 C ATOM 311 CG ASP A 145 -2.184 1.050 9.095 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.427 2.038 8.990 1.00 0.00 O ATOM 313 OD2 ASP A 145 -2.120 0.237 10.041 1.00 0.00 O ATOM 0 H ASP A 145 -5.023 1.378 6.423 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.630 2.653 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.217 1.082 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.262 -0.228 7.758 1.00 0.00 H new ATOM 318 N ALA A 146 -0.961 1.803 5.415 1.00 0.00 N ATOM 319 CA ALA A 146 0.128 1.281 4.599 1.00 0.00 C ATOM 320 C ALA A 146 0.956 0.270 5.385 1.00 0.00 C ATOM 321 O ALA A 146 1.322 -0.783 4.867 1.00 0.00 O ATOM 322 CB ALA A 146 1.008 2.412 4.092 1.00 0.00 C ATOM 0 H ALA A 146 -0.944 2.814 5.549 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.307 0.772 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.815 2.001 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.411 3.095 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.430 2.952 4.939 1.00 0.00 H new ATOM 328 N SER A 147 1.234 0.591 6.646 1.00 0.00 N ATOM 329 CA SER A 147 2.005 -0.303 7.503 1.00 0.00 C ATOM 330 C SER A 147 1.322 -1.657 7.589 1.00 0.00 C ATOM 331 O SER A 147 1.952 -2.697 7.393 1.00 0.00 O ATOM 332 CB SER A 147 2.172 0.300 8.899 1.00 0.00 C ATOM 333 OG SER A 147 1.187 1.287 9.150 1.00 0.00 O ATOM 0 H SER A 147 0.939 1.458 7.094 1.00 0.00 H new ATOM 0 HA SER A 147 2.996 -0.435 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.102 -0.487 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.165 0.741 8.992 1.00 0.00 H new ATOM 0 HG SER A 147 0.317 0.971 8.827 1.00 0.00 H new ATOM 339 N LYS A 148 0.019 -1.640 7.855 1.00 0.00 N ATOM 340 CA LYS A 148 -0.750 -2.871 7.930 1.00 0.00 C ATOM 341 C LYS A 148 -0.647 -3.615 6.598 1.00 0.00 C ATOM 342 O LYS A 148 -0.771 -4.839 6.541 1.00 0.00 O ATOM 343 CB LYS A 148 -2.211 -2.567 8.296 1.00 0.00 C ATOM 344 CG LYS A 148 -3.179 -2.618 7.125 1.00 0.00 C ATOM 345 CD LYS A 148 -3.619 -4.042 6.838 1.00 0.00 C ATOM 346 CE LYS A 148 -5.057 -4.282 7.270 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.290 -5.696 7.669 1.00 0.00 N ATOM 0 H LYS A 148 -0.521 -0.791 8.021 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.344 -3.510 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.538 -3.280 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.260 -1.577 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.051 -2.002 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.705 -2.196 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.520 -4.246 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.961 -4.738 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.299 -3.625 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.730 -4.020 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.282 -5.817 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.084 -6.322 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.667 -5.939 8.465 1.00 0.00 H new ATOM 361 N VAL A 149 -0.397 -2.855 5.531 1.00 0.00 N ATOM 362 CA VAL A 149 -0.247 -3.416 4.197 1.00 0.00 C ATOM 363 C VAL A 149 1.197 -3.867 3.975 1.00 0.00 C ATOM 364 O VAL A 149 2.011 -3.123 3.435 1.00 0.00 O ATOM 365 CB VAL A 149 -0.637 -2.383 3.115 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.179 -2.826 1.731 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.136 -2.138 3.133 1.00 0.00 C ATOM 0 H VAL A 149 -0.294 -1.841 5.571 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.914 -4.275 4.116 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.128 -1.447 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.469 -2.077 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.905 -2.939 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.645 -3.779 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.395 -1.408 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.660 -3.073 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.431 -1.756 4.111 1.00 0.00 H new ATOM 377 N LYS A 150 1.505 -5.087 4.405 1.00 0.00 N ATOM 378 CA LYS A 150 2.851 -5.638 4.264 1.00 0.00 C ATOM 379 C LYS A 150 3.359 -5.505 2.829 1.00 0.00 C ATOM 380 O LYS A 150 2.996 -6.290 1.953 1.00 0.00 O ATOM 381 CB LYS A 150 2.862 -7.112 4.685 1.00 0.00 C ATOM 382 CG LYS A 150 4.211 -7.794 4.506 1.00 0.00 C ATOM 383 CD LYS A 150 5.118 -7.564 5.704 1.00 0.00 C ATOM 384 CE LYS A 150 5.224 -8.808 6.571 1.00 0.00 C ATOM 385 NZ LYS A 150 5.963 -8.543 7.836 1.00 0.00 N ATOM 0 H LYS A 150 0.839 -5.715 4.855 1.00 0.00 H new ATOM 0 HA LYS A 150 3.516 -5.069 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.566 -7.183 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.113 -7.651 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.062 -8.864 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.694 -7.415 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 150 6.111 -7.274 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.733 -6.736 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.224 -9.174 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 150 5.730 -9.597 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 6.013 -9.416 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.926 -8.218 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.467 -7.809 8.380 1.00 0.00 H new ATOM 399 N GLY A 151 4.205 -4.504 2.602 1.00 0.00 N ATOM 400 CA GLY A 151 4.754 -4.277 1.279 1.00 0.00 C ATOM 401 C GLY A 151 5.823 -5.284 0.902 1.00 0.00 C ATOM 402 O GLY A 151 6.635 -5.682 1.738 1.00 0.00 O ATOM 0 H GLY A 151 4.520 -3.845 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.949 -4.318 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.176 -3.273 1.234 1.00 0.00 H new ATOM 406 N THR A 152 5.825 -5.695 -0.364 1.00 0.00 N ATOM 407 CA THR A 152 6.804 -6.662 -0.856 1.00 0.00 C ATOM 408 C THR A 152 7.667 -6.058 -1.967 1.00 0.00 C ATOM 409 O THR A 152 8.382 -6.776 -2.667 1.00 0.00 O ATOM 410 CB THR A 152 6.100 -7.936 -1.355 1.00 0.00 C ATOM 411 OG1 THR A 152 6.401 -8.192 -2.717 1.00 0.00 O ATOM 412 CG2 THR A 152 4.592 -7.887 -1.226 1.00 0.00 C ATOM 0 H THR A 152 5.160 -5.374 -1.068 1.00 0.00 H new ATOM 0 HA THR A 152 7.460 -6.927 -0.027 1.00 0.00 H new ATOM 0 HB THR A 152 6.481 -8.730 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.373 -8.203 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.165 -8.819 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.321 -7.755 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.204 -7.052 -1.809 1.00 0.00 H new ATOM 420 N GLY A 153 7.599 -4.739 -2.126 1.00 0.00 N ATOM 421 CA GLY A 153 8.377 -4.076 -3.156 1.00 0.00 C ATOM 422 C GLY A 153 9.866 -4.066 -2.856 1.00 0.00 C ATOM 423 O GLY A 153 10.267 -4.172 -1.696 1.00 0.00 O ATOM 0 H GLY A 153 7.020 -4.119 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.207 -4.574 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.026 -3.050 -3.265 1.00 0.00 H new ATOM 427 N PRO A 154 10.713 -3.933 -3.894 1.00 0.00 N ATOM 428 CA PRO A 154 12.173 -3.912 -3.740 1.00 0.00 C ATOM 429 C PRO A 154 12.635 -3.031 -2.586 1.00 0.00 C ATOM 430 O PRO A 154 12.633 -1.805 -2.686 1.00 0.00 O ATOM 431 CB PRO A 154 12.650 -3.342 -5.075 1.00 0.00 C ATOM 432 CG PRO A 154 11.616 -3.775 -6.054 1.00 0.00 C ATOM 433 CD PRO A 154 10.308 -3.787 -5.306 1.00 0.00 C ATOM 0 HA PRO A 154 12.572 -4.899 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.731 -2.256 -5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.635 -3.726 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.573 -3.092 -6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.846 -4.763 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.746 -2.867 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.671 -4.611 -5.627 1.00 0.00 H new ATOM 441 N GLY A 155 13.031 -3.668 -1.491 1.00 0.00 N ATOM 442 CA GLY A 155 13.490 -2.932 -0.329 1.00 0.00 C ATOM 443 C GLY A 155 12.407 -2.789 0.722 1.00 0.00 C ATOM 444 O GLY A 155 12.459 -1.889 1.560 1.00 0.00 O ATOM 0 H GLY A 155 13.042 -4.683 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.350 -3.441 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.828 -1.943 -0.638 1.00 0.00 H new ATOM 448 N GLY A 156 11.422 -3.681 0.675 1.00 0.00 N ATOM 449 CA GLY A 156 10.335 -3.636 1.632 1.00 0.00 C ATOM 450 C GLY A 156 9.375 -2.493 1.370 1.00 0.00 C ATOM 451 O GLY A 156 8.665 -2.059 2.276 1.00 0.00 O ATOM 0 H GLY A 156 11.359 -4.434 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.789 -4.579 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.745 -3.538 2.637 1.00 0.00 H new ATOM 455 N VAL A 157 9.351 -1.995 0.135 1.00 0.00 N ATOM 456 CA VAL A 157 8.466 -0.891 -0.204 1.00 0.00 C ATOM 457 C VAL A 157 7.089 -1.398 -0.608 1.00 0.00 C ATOM 458 O VAL A 157 6.964 -2.202 -1.531 1.00 0.00 O ATOM 459 CB VAL A 157 9.040 0.011 -1.338 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.525 -0.219 -1.542 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.301 -0.186 -2.657 1.00 0.00 C ATOM 0 H VAL A 157 9.927 -2.335 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 157 8.381 -0.283 0.697 1.00 0.00 H new ATOM 0 HB VAL A 157 8.889 1.040 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.887 0.428 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.059 0.010 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.698 -1.261 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.735 0.463 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.390 -1.226 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.248 0.064 -2.525 1.00 0.00 H new ATOM 471 N ILE A 158 6.051 -0.912 0.062 1.00 0.00 N ATOM 472 CA ILE A 158 4.703 -1.320 -0.285 1.00 0.00 C ATOM 473 C ILE A 158 4.404 -0.854 -1.698 1.00 0.00 C ATOM 474 O ILE A 158 4.331 0.340 -1.971 1.00 0.00 O ATOM 475 CB ILE A 158 3.650 -0.773 0.698 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.666 0.753 0.743 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.885 -1.340 2.088 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.364 1.336 1.241 1.00 0.00 C ATOM 0 H ILE A 158 6.117 -0.248 0.833 1.00 0.00 H new ATOM 0 HA ILE A 158 4.647 -2.407 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 158 2.668 -1.087 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.479 1.085 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.874 1.140 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.135 -0.946 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.811 -2.427 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.878 -1.054 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.433 2.424 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.552 1.030 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.166 0.975 2.250 1.00 0.00 H new ATOM 490 N THR A 159 4.283 -1.805 -2.609 1.00 0.00 N ATOM 491 CA THR A 159 4.051 -1.474 -4.002 1.00 0.00 C ATOM 492 C THR A 159 2.618 -1.032 -4.241 1.00 0.00 C ATOM 493 O THR A 159 1.708 -1.349 -3.475 1.00 0.00 O ATOM 494 CB THR A 159 4.414 -2.658 -4.896 1.00 0.00 C ATOM 495 OG1 THR A 159 3.670 -3.811 -4.541 1.00 0.00 O ATOM 496 CG2 THR A 159 5.888 -3.008 -4.827 1.00 0.00 C ATOM 0 H THR A 159 4.341 -2.804 -2.410 1.00 0.00 H new ATOM 0 HA THR A 159 4.695 -0.633 -4.259 1.00 0.00 H new ATOM 0 HB THR A 159 4.172 -2.348 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.157 -4.316 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.092 -3.856 -5.481 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.481 -2.151 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.153 -3.268 -3.802 1.00 0.00 H new ATOM 504 N VAL A 160 2.431 -0.274 -5.309 1.00 0.00 N ATOM 505 CA VAL A 160 1.116 0.242 -5.657 1.00 0.00 C ATOM 506 C VAL A 160 0.094 -0.880 -5.749 1.00 0.00 C ATOM 507 O VAL A 160 -1.027 -0.759 -5.258 1.00 0.00 O ATOM 508 CB VAL A 160 1.125 1.023 -6.987 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.243 2.236 -6.849 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.534 1.437 -7.391 1.00 0.00 C ATOM 0 H VAL A 160 3.175 -0.002 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 160 0.838 0.928 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 160 0.744 0.371 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.243 2.795 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.774 1.922 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.620 2.871 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.496 1.984 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.962 2.075 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.154 0.548 -7.512 1.00 0.00 H new ATOM 520 N GLU A 161 0.500 -1.976 -6.366 1.00 0.00 N ATOM 521 CA GLU A 161 -0.366 -3.134 -6.514 1.00 0.00 C ATOM 522 C GLU A 161 -0.689 -3.724 -5.149 1.00 0.00 C ATOM 523 O GLU A 161 -1.739 -4.337 -4.955 1.00 0.00 O ATOM 524 CB GLU A 161 0.299 -4.190 -7.399 1.00 0.00 C ATOM 525 CG GLU A 161 -0.064 -4.066 -8.871 1.00 0.00 C ATOM 526 CD GLU A 161 0.694 -5.050 -9.742 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.932 -5.133 -9.606 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.048 -5.736 -10.561 1.00 0.00 O ATOM 0 H GLU A 161 1.428 -2.089 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.293 -2.815 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.381 -4.113 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.014 -5.181 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.135 -4.228 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.145 -3.051 -9.209 1.00 0.00 H new ATOM 535 N ASP A 162 0.226 -3.527 -4.202 1.00 0.00 N ATOM 536 CA ASP A 162 0.049 -4.033 -2.846 1.00 0.00 C ATOM 537 C ASP A 162 -1.060 -3.276 -2.129 1.00 0.00 C ATOM 538 O ASP A 162 -1.955 -3.876 -1.531 1.00 0.00 O ATOM 539 CB ASP A 162 1.351 -3.904 -2.050 1.00 0.00 C ATOM 540 CG ASP A 162 2.358 -4.985 -2.385 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.935 -6.091 -2.784 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.574 -4.724 -2.246 1.00 0.00 O ATOM 0 H ASP A 162 1.098 -3.020 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.226 -5.085 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.795 -2.928 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.125 -3.943 -0.984 1.00 0.00 H new ATOM 547 N VAL A 163 -0.993 -1.952 -2.190 1.00 0.00 N ATOM 548 CA VAL A 163 -1.996 -1.113 -1.541 1.00 0.00 C ATOM 549 C VAL A 163 -3.333 -1.207 -2.265 1.00 0.00 C ATOM 550 O VAL A 163 -4.380 -1.360 -1.640 1.00 0.00 O ATOM 551 CB VAL A 163 -1.589 0.379 -1.476 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.867 0.951 -0.093 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.131 0.597 -1.858 1.00 0.00 C ATOM 0 H VAL A 163 -0.260 -1.437 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.080 -1.493 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.198 0.909 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.574 2.001 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.931 0.866 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.295 0.397 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.106 1.659 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.511 0.042 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.035 0.246 -2.877 1.00 0.00 H new ATOM 563 N LYS A 164 -3.290 -1.097 -3.588 1.00 0.00 N ATOM 564 CA LYS A 164 -4.498 -1.157 -4.402 1.00 0.00 C ATOM 565 C LYS A 164 -5.265 -2.451 -4.162 1.00 0.00 C ATOM 566 O LYS A 164 -6.483 -2.439 -3.992 1.00 0.00 O ATOM 567 CB LYS A 164 -4.140 -1.020 -5.881 1.00 0.00 C ATOM 568 CG LYS A 164 -4.531 0.321 -6.478 1.00 0.00 C ATOM 569 CD LYS A 164 -4.598 0.257 -7.996 1.00 0.00 C ATOM 570 CE LYS A 164 -5.622 1.233 -8.551 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.063 2.605 -8.692 1.00 0.00 N ATOM 0 H LYS A 164 -2.430 -0.966 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.143 -0.328 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.066 -1.163 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.632 -1.815 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.499 0.628 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.809 1.079 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.617 0.481 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -4.853 -0.756 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -5.969 0.881 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -6.490 1.261 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -5.793 3.240 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -4.755 2.952 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -4.250 2.584 -9.340 1.00 0.00 H new ATOM 585 N ARG A 165 -4.546 -3.565 -4.153 1.00 0.00 N ATOM 586 CA ARG A 165 -5.164 -4.869 -3.936 1.00 0.00 C ATOM 587 C ARG A 165 -5.684 -4.998 -2.507 1.00 0.00 C ATOM 588 O ARG A 165 -6.768 -5.533 -2.275 1.00 0.00 O ATOM 589 CB ARG A 165 -4.165 -5.990 -4.234 1.00 0.00 C ATOM 590 CG ARG A 165 -3.082 -6.146 -3.179 1.00 0.00 C ATOM 591 CD ARG A 165 -2.164 -7.318 -3.490 1.00 0.00 C ATOM 592 NE ARG A 165 -2.891 -8.583 -3.541 1.00 0.00 N ATOM 593 CZ ARG A 165 -3.392 -9.195 -2.471 1.00 0.00 C ATOM 594 NH1 ARG A 165 -3.243 -8.663 -1.263 1.00 0.00 N ATOM 595 NH2 ARG A 165 -4.042 -10.343 -2.606 1.00 0.00 N ATOM 0 H ARG A 165 -3.536 -3.594 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.010 -4.957 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.707 -6.931 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -3.694 -5.797 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.496 -5.229 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.543 -6.293 -2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -1.668 -7.146 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -1.384 -7.379 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 165 -3.023 -9.024 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -2.743 -7.781 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -3.629 -9.136 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -4.158 -10.758 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -4.426 -10.811 -1.785 1.00 0.00 H new ATOM 609 N TRP A 166 -4.899 -4.511 -1.553 1.00 0.00 N ATOM 610 CA TRP A 166 -5.274 -4.579 -0.146 1.00 0.00 C ATOM 611 C TRP A 166 -6.509 -3.731 0.145 1.00 0.00 C ATOM 612 O TRP A 166 -7.459 -4.199 0.773 1.00 0.00 O ATOM 613 CB TRP A 166 -4.112 -4.120 0.734 1.00 0.00 C ATOM 614 CG TRP A 166 -4.133 -4.728 2.100 1.00 0.00 C ATOM 615 CD1 TRP A 166 -5.102 -4.574 3.050 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.142 -5.587 2.672 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.775 -5.289 4.175 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.575 -5.919 3.969 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.930 -6.110 2.212 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.839 -6.749 4.810 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.200 -6.933 3.048 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.656 -7.246 4.335 1.00 0.00 C ATOM 0 H TRP A 166 -3.999 -4.065 -1.728 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.514 -5.617 0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.172 -4.374 0.245 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -4.141 -3.034 0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.995 -3.977 2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.334 -5.343 5.026 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.571 -5.875 1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.189 -6.992 5.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.262 -7.342 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.062 -7.892 4.965 1.00 0.00 H new ATOM 633 N ALA A 167 -6.488 -2.483 -0.308 1.00 0.00 N ATOM 634 CA ALA A 167 -7.604 -1.573 -0.088 1.00 0.00 C ATOM 635 C ALA A 167 -8.882 -2.096 -0.735 1.00 0.00 C ATOM 636 O ALA A 167 -9.935 -2.140 -0.100 1.00 0.00 O ATOM 637 CB ALA A 167 -7.265 -0.188 -0.616 1.00 0.00 C ATOM 0 H ALA A 167 -5.710 -2.079 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.780 -1.507 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -8.107 0.483 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.386 0.194 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -7.058 -0.247 -1.685 1.00 0.00 H new ATOM 643 N GLU A 168 -8.784 -2.493 -2.000 1.00 0.00 N ATOM 644 CA GLU A 168 -9.939 -3.015 -2.722 1.00 0.00 C ATOM 645 C GLU A 168 -10.484 -4.264 -2.038 1.00 0.00 C ATOM 646 O GLU A 168 -11.694 -4.485 -1.997 1.00 0.00 O ATOM 647 CB GLU A 168 -9.566 -3.329 -4.174 1.00 0.00 C ATOM 648 CG GLU A 168 -8.646 -4.531 -4.325 1.00 0.00 C ATOM 649 CD GLU A 168 -8.414 -4.912 -5.775 1.00 0.00 C ATOM 650 OE1 GLU A 168 -9.105 -4.355 -6.654 1.00 0.00 O ATOM 651 OE2 GLU A 168 -7.540 -5.767 -6.030 1.00 0.00 O ATOM 0 H GLU A 168 -7.922 -2.464 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.716 -2.251 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.478 -3.508 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -9.083 -2.456 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.688 -4.312 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.075 -5.381 -3.794 1.00 0.00 H new ATOM 658 N GLU A 169 -9.582 -5.076 -1.498 1.00 0.00 N ATOM 659 CA GLU A 169 -9.968 -6.303 -0.811 1.00 0.00 C ATOM 660 C GLU A 169 -10.838 -5.998 0.405 1.00 0.00 C ATOM 661 O GLU A 169 -11.658 -6.820 0.815 1.00 0.00 O ATOM 662 CB GLU A 169 -8.725 -7.085 -0.382 1.00 0.00 C ATOM 663 CG GLU A 169 -8.261 -8.104 -1.409 1.00 0.00 C ATOM 664 CD GLU A 169 -7.418 -9.206 -0.798 1.00 0.00 C ATOM 665 OE1 GLU A 169 -7.720 -9.623 0.341 1.00 0.00 O ATOM 666 OE2 GLU A 169 -6.454 -9.651 -1.456 1.00 0.00 O ATOM 0 H GLU A 169 -8.577 -4.906 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.549 -6.910 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -7.914 -6.383 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -8.935 -7.598 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.131 -8.545 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.684 -7.597 -2.183 1.00 0.00 H new ATOM 673 N THR A 170 -10.656 -4.812 0.978 1.00 0.00 N ATOM 674 CA THR A 170 -11.422 -4.400 2.144 1.00 0.00 C ATOM 675 C THR A 170 -12.883 -4.174 1.776 1.00 0.00 C ATOM 676 O THR A 170 -13.785 -4.726 2.406 1.00 0.00 O ATOM 677 CB THR A 170 -10.828 -3.122 2.738 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.249 -1.985 2.005 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.314 -3.117 2.766 1.00 0.00 C ATOM 0 H THR A 170 -9.982 -4.120 0.651 1.00 0.00 H new ATOM 0 HA THR A 170 -11.372 -5.196 2.887 1.00 0.00 H new ATOM 0 HB THR A 170 -11.192 -3.087 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.517 -1.676 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.961 -2.181 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.958 -3.953 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.931 -3.213 1.750 1.00 0.00 H new ATOM 687 N ALA A 171 -13.108 -3.368 0.744 1.00 0.00 N ATOM 688 CA ALA A 171 -14.460 -3.079 0.284 1.00 0.00 C ATOM 689 C ALA A 171 -14.997 -4.226 -0.564 1.00 0.00 C ATOM 690 O ALA A 171 -16.208 -4.416 -0.679 1.00 0.00 O ATOM 691 CB ALA A 171 -14.482 -1.778 -0.506 1.00 0.00 C ATOM 0 H ALA A 171 -12.372 -2.904 0.211 1.00 0.00 H new ATOM 0 HA ALA A 171 -15.104 -2.969 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.498 -1.574 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -14.140 -0.961 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.823 -1.866 -1.370 1.00 0.00 H new ATOM 697 N LYS A 172 -14.083 -4.993 -1.154 1.00 0.00 N ATOM 698 CA LYS A 172 -14.453 -6.126 -1.991 1.00 0.00 C ATOM 699 C LYS A 172 -15.010 -7.269 -1.145 1.00 0.00 C ATOM 700 O LYS A 172 -15.835 -8.054 -1.612 1.00 0.00 O ATOM 701 CB LYS A 172 -13.237 -6.607 -2.786 1.00 0.00 C ATOM 702 CG LYS A 172 -13.506 -7.842 -3.631 1.00 0.00 C ATOM 703 CD LYS A 172 -12.800 -7.764 -4.977 1.00 0.00 C ATOM 704 CE LYS A 172 -13.789 -7.589 -6.118 1.00 0.00 C ATOM 705 NZ LYS A 172 -14.550 -6.313 -6.004 1.00 0.00 N ATOM 0 H LYS A 172 -13.077 -4.847 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.230 -5.802 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.897 -5.801 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -12.424 -6.822 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -13.172 -8.730 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -14.579 -7.950 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -12.098 -6.930 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -12.217 -8.671 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -13.255 -7.609 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -14.485 -8.427 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -15.164 -6.200 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -15.133 -6.332 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -13.885 -5.515 -5.954 1.00 0.00 H new ATOM 719 N ALA A 173 -14.551 -7.356 0.100 1.00 0.00 N ATOM 720 CA ALA A 173 -15.001 -8.404 1.010 1.00 0.00 C ATOM 721 C ALA A 173 -16.520 -8.405 1.146 1.00 0.00 C ATOM 722 O ALA A 173 -17.194 -9.331 0.694 1.00 0.00 O ATOM 723 CB ALA A 173 -14.348 -8.233 2.374 1.00 0.00 C ATOM 0 H ALA A 173 -13.868 -6.714 0.502 1.00 0.00 H new ATOM 0 HA ALA A 173 -14.702 -9.365 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -14.692 -9.021 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.265 -8.293 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.619 -7.262 2.788 1.00 0.00 H new ATOM 729 N THR A 174 -17.055 -7.361 1.772 1.00 0.00 N ATOM 730 CA THR A 174 -18.495 -7.242 1.967 1.00 0.00 C ATOM 731 C THR A 174 -19.019 -5.936 1.379 1.00 0.00 C ATOM 732 O THR A 174 -19.652 -5.930 0.322 1.00 0.00 O ATOM 733 CB THR A 174 -18.837 -7.318 3.456 1.00 0.00 C ATOM 734 OG1 THR A 174 -18.217 -6.260 4.167 1.00 0.00 O ATOM 735 CG2 THR A 174 -18.411 -8.618 4.103 1.00 0.00 C ATOM 0 H THR A 174 -16.512 -6.586 2.153 1.00 0.00 H new ATOM 0 HA THR A 174 -18.976 -8.071 1.448 1.00 0.00 H new ATOM 0 HB THR A 174 -19.923 -7.245 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 174 -18.449 -6.324 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 174 -18.683 -8.606 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 174 -18.911 -9.451 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 174 -17.331 -8.735 4.008 1.00 0.00 H new ATOM 743 N ALA A 175 -18.753 -4.833 2.068 1.00 0.00 N ATOM 744 CA ALA A 175 -19.197 -3.521 1.614 1.00 0.00 C ATOM 745 C ALA A 175 -18.294 -2.417 2.155 1.00 0.00 C ATOM 746 O ALA A 175 -18.758 -1.260 2.232 1.00 0.00 O ATOM 747 CB ALA A 175 -20.640 -3.279 2.034 1.00 0.00 C ATOM 748 OXT ALA A 175 -17.132 -2.720 2.498 1.00 0.00 O ATOM 0 H ALA A 175 -18.231 -4.821 2.944 1.00 0.00 H new ATOM 0 HA ALA A 175 -19.138 -3.501 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -20.959 -2.296 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -21.280 -4.044 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -20.715 -3.324 3.120 1.00 0.00 H new TER 754 ALA A 175