USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 150 THR OG1 : rot -140:sc= -0.765 USER MOD Set 1.2: A 164 MET CE :methyl 144:sc= -2.16 (180deg=-2.65!) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 141 SER OG : rot -36:sc= -0.789 USER MOD Single : A 148 THR OG1 : rot 130:sc= -0.199 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ -164:sc= 0.944 (180deg=0.384) USER MOD Single : A 166 THR OG1 : rot 180:sc=-0.00546 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -0.773 -7.058 0.821 1.00 0.00 N ATOM 77 CA ARG A 132 0.105 -7.376 1.940 1.00 0.00 C ATOM 78 C ARG A 132 0.812 -6.124 2.451 1.00 0.00 C ATOM 79 O ARG A 132 1.199 -5.256 1.669 1.00 0.00 O ATOM 80 CB ARG A 132 1.134 -8.430 1.525 1.00 0.00 C ATOM 81 CG ARG A 132 1.213 -9.610 2.478 1.00 0.00 C ATOM 82 CD ARG A 132 -0.053 -10.450 2.430 1.00 0.00 C ATOM 83 NE ARG A 132 -0.021 -11.544 3.398 1.00 0.00 N ATOM 84 CZ ARG A 132 -1.075 -12.301 3.696 1.00 0.00 C ATOM 85 NH1 ARG A 132 -2.242 -12.087 3.104 1.00 0.00 N ATOM 86 NH2 ARG A 132 -0.959 -13.276 4.586 1.00 0.00 N ATOM 0 HA ARG A 132 -0.507 -7.777 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.887 -8.795 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.116 -7.961 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.072 -10.230 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.373 -9.249 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.917 -9.816 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -0.180 -10.857 1.427 1.00 0.00 H new ATOM 0 HE ARG A 132 0.860 -11.739 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -2.336 -11.339 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -3.046 -12.670 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.063 -13.446 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -1.766 -13.856 4.815 1.00 0.00 H new ATOM 100 N GLU A 133 0.977 -6.038 3.767 1.00 0.00 N ATOM 101 CA GLU A 133 1.637 -4.893 4.381 1.00 0.00 C ATOM 102 C GLU A 133 3.094 -4.801 3.938 1.00 0.00 C ATOM 103 O GLU A 133 3.791 -5.813 3.854 1.00 0.00 O ATOM 104 CB GLU A 133 1.562 -4.991 5.906 1.00 0.00 C ATOM 105 CG GLU A 133 2.099 -6.302 6.458 1.00 0.00 C ATOM 106 CD GLU A 133 3.487 -6.160 7.050 1.00 0.00 C ATOM 107 OE1 GLU A 133 3.710 -5.202 7.820 1.00 0.00 O ATOM 108 OE2 GLU A 133 4.352 -7.006 6.743 1.00 0.00 O ATOM 0 H GLU A 133 0.662 -6.748 4.428 1.00 0.00 H new ATOM 0 HA GLU A 133 1.119 -3.991 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.123 -4.165 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.525 -4.872 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.418 -6.676 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.122 -7.045 5.661 1.00 0.00 H new ATOM 115 N GLY A 134 3.547 -3.584 3.654 1.00 0.00 N ATOM 116 CA GLY A 134 4.918 -3.387 3.223 1.00 0.00 C ATOM 117 C GLY A 134 5.026 -3.089 1.739 1.00 0.00 C ATOM 118 O GLY A 134 6.013 -2.508 1.287 1.00 0.00 O ATOM 0 H GLY A 134 2.990 -2.732 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.358 -2.565 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.499 -4.280 3.454 1.00 0.00 H new ATOM 122 N ASP A 135 4.011 -3.488 0.978 1.00 0.00 N ATOM 123 CA ASP A 135 4.000 -3.260 -0.462 1.00 0.00 C ATOM 124 C ASP A 135 4.136 -1.775 -0.782 1.00 0.00 C ATOM 125 O ASP A 135 3.809 -0.920 0.041 1.00 0.00 O ATOM 126 CB ASP A 135 2.711 -3.812 -1.078 1.00 0.00 C ATOM 127 CG ASP A 135 2.961 -4.544 -2.381 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.701 -4.007 -3.231 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.414 -5.654 -2.552 1.00 0.00 O ATOM 0 H ASP A 135 3.186 -3.970 1.335 1.00 0.00 H new ATOM 0 HA ASP A 135 4.854 -3.784 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.234 -4.489 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.015 -2.992 -1.253 1.00 0.00 H new ATOM 134 N GLN A 136 4.622 -1.475 -1.983 1.00 0.00 N ATOM 135 CA GLN A 136 4.801 -0.093 -2.412 1.00 0.00 C ATOM 136 C GLN A 136 3.852 0.250 -3.555 1.00 0.00 C ATOM 137 O GLN A 136 3.662 -0.544 -4.478 1.00 0.00 O ATOM 138 CB GLN A 136 6.248 0.144 -2.847 1.00 0.00 C ATOM 139 CG GLN A 136 7.271 -0.206 -1.779 1.00 0.00 C ATOM 140 CD GLN A 136 8.519 -0.850 -2.353 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.004 -0.455 -3.412 1.00 0.00 O ATOM 142 NE2 GLN A 136 9.043 -1.852 -1.654 1.00 0.00 N ATOM 0 H GLN A 136 4.899 -2.171 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 136 4.571 0.556 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.451 -0.447 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.368 1.191 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.550 0.698 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.818 -0.883 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.607 -2.147 -0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.881 -2.326 -1.992 1.00 0.00 H new ATOM 151 N VAL A 137 3.256 1.437 -3.487 1.00 0.00 N ATOM 152 CA VAL A 137 2.325 1.884 -4.515 1.00 0.00 C ATOM 153 C VAL A 137 2.457 3.384 -4.763 1.00 0.00 C ATOM 154 O VAL A 137 2.649 4.160 -3.828 1.00 0.00 O ATOM 155 CB VAL A 137 0.868 1.568 -4.127 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.624 0.068 -4.134 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.539 2.163 -2.765 1.00 0.00 C ATOM 0 H VAL A 137 3.402 2.105 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 137 2.578 1.343 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 137 0.208 2.021 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.411 -0.134 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.817 -0.327 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.291 -0.412 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.494 1.930 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.205 1.741 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.670 3.245 -2.799 1.00 0.00 H new ATOM 167 N ARG A 138 2.352 3.785 -6.027 1.00 0.00 N ATOM 168 CA ARG A 138 2.459 5.194 -6.388 1.00 0.00 C ATOM 169 C ARG A 138 1.146 5.923 -6.120 1.00 0.00 C ATOM 170 O ARG A 138 0.107 5.296 -5.906 1.00 0.00 O ATOM 171 CB ARG A 138 2.852 5.349 -7.859 1.00 0.00 C ATOM 172 CG ARG A 138 4.017 6.304 -8.080 1.00 0.00 C ATOM 173 CD ARG A 138 4.908 5.841 -9.220 1.00 0.00 C ATOM 174 NE ARG A 138 4.322 6.127 -10.527 1.00 0.00 N ATOM 175 CZ ARG A 138 5.017 6.166 -11.661 1.00 0.00 C ATOM 176 NH1 ARG A 138 6.325 5.939 -11.655 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.404 6.436 -12.806 1.00 0.00 N ATOM 0 H ARG A 138 2.194 3.157 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 138 3.238 5.639 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.113 4.371 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.989 5.705 -8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.635 7.301 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.605 6.380 -7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.878 6.332 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.085 4.769 -9.129 1.00 0.00 H new ATOM 0 HE ARG A 138 3.319 6.308 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.803 5.733 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.852 5.970 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.400 6.614 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.937 6.466 -13.675 1.00 0.00 H new ATOM 191 N VAL A 139 1.205 7.247 -6.131 1.00 0.00 N ATOM 192 CA VAL A 139 0.027 8.071 -5.889 1.00 0.00 C ATOM 193 C VAL A 139 -0.835 8.181 -7.145 1.00 0.00 C ATOM 194 O VAL A 139 -0.404 7.810 -8.238 1.00 0.00 O ATOM 195 CB VAL A 139 0.427 9.485 -5.420 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.775 10.230 -4.861 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.542 9.408 -4.388 1.00 0.00 C ATOM 0 H VAL A 139 2.059 7.776 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.551 7.585 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 139 0.795 10.040 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.468 11.224 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.539 10.320 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -1.181 9.681 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.812 10.414 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.202 8.833 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.412 8.922 -4.828 1.00 0.00 H new ATOM 207 N VAL A 140 -2.057 8.681 -6.983 1.00 0.00 N ATOM 208 CA VAL A 140 -2.980 8.824 -8.105 1.00 0.00 C ATOM 209 C VAL A 140 -2.667 10.065 -8.949 1.00 0.00 C ATOM 210 O VAL A 140 -2.364 9.948 -10.135 1.00 0.00 O ATOM 211 CB VAL A 140 -4.450 8.881 -7.625 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.630 9.889 -6.496 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.389 9.197 -8.782 1.00 0.00 C ATOM 0 H VAL A 140 -2.431 8.994 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.846 7.940 -8.729 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.705 7.896 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.674 9.903 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -4.002 9.605 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.342 10.881 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.416 9.231 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.124 10.163 -9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.300 8.423 -9.545 1.00 0.00 H new ATOM 223 N SER A 141 -2.747 11.247 -8.344 1.00 0.00 N ATOM 224 CA SER A 141 -2.479 12.486 -9.066 1.00 0.00 C ATOM 225 C SER A 141 -2.159 13.626 -8.103 1.00 0.00 C ATOM 226 O SER A 141 -1.882 13.400 -6.926 1.00 0.00 O ATOM 227 CB SER A 141 -3.677 12.858 -9.940 1.00 0.00 C ATOM 228 OG SER A 141 -4.217 11.714 -10.580 1.00 0.00 O ATOM 0 H SER A 141 -2.994 11.372 -7.362 1.00 0.00 H new ATOM 0 HA SER A 141 -1.609 12.324 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.444 13.332 -9.328 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.371 13.588 -10.690 1.00 0.00 H new ATOM 0 HG SER A 141 -3.491 11.102 -10.824 1.00 0.00 H new ATOM 234 N GLY A 142 -2.200 14.855 -8.615 1.00 0.00 N ATOM 235 CA GLY A 142 -1.916 16.015 -7.790 1.00 0.00 C ATOM 236 C GLY A 142 -0.428 16.231 -7.592 1.00 0.00 C ATOM 237 O GLY A 142 0.386 15.635 -8.295 1.00 0.00 O ATOM 0 H GLY A 142 -2.425 15.066 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -2.351 16.901 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -2.395 15.893 -6.819 1.00 0.00 H new ATOM 241 N PRO A 143 -0.038 17.081 -6.627 1.00 0.00 N ATOM 242 CA PRO A 143 1.375 17.358 -6.345 1.00 0.00 C ATOM 243 C PRO A 143 2.124 16.108 -5.895 1.00 0.00 C ATOM 244 O PRO A 143 3.356 16.067 -5.919 1.00 0.00 O ATOM 245 CB PRO A 143 1.328 18.389 -5.211 1.00 0.00 C ATOM 246 CG PRO A 143 -0.028 18.239 -4.607 1.00 0.00 C ATOM 247 CD PRO A 143 -0.935 17.830 -5.731 1.00 0.00 C ATOM 0 HA PRO A 143 1.903 17.711 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.110 18.202 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.481 19.399 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.023 17.489 -3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.361 19.174 -4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.761 17.212 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.374 18.694 -6.230 1.00 0.00 H new ATOM 255 N PHE A 144 1.374 15.088 -5.488 1.00 0.00 N ATOM 256 CA PHE A 144 1.963 13.834 -5.032 1.00 0.00 C ATOM 257 C PHE A 144 1.930 12.778 -6.134 1.00 0.00 C ATOM 258 O PHE A 144 2.124 11.597 -5.864 1.00 0.00 O ATOM 259 CB PHE A 144 1.212 13.305 -3.807 1.00 0.00 C ATOM 260 CG PHE A 144 0.702 14.380 -2.889 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.575 15.102 -2.093 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.652 14.661 -2.824 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.106 16.089 -1.247 1.00 0.00 C ATOM 264 CE2 PHE A 144 -1.128 15.646 -1.981 1.00 0.00 C ATOM 265 CZ PHE A 144 -0.249 16.362 -1.191 1.00 0.00 C ATOM 0 H PHE A 144 0.354 15.106 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 144 3.001 14.035 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.370 12.700 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 144 1.874 12.646 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 144 2.634 14.892 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -1.343 14.104 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 144 1.796 16.646 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -2.186 15.856 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.619 17.133 -0.531 1.00 0.00 H new ATOM 275 N ALA A 145 1.679 13.201 -7.370 1.00 0.00 N ATOM 276 CA ALA A 145 1.609 12.269 -8.494 1.00 0.00 C ATOM 277 C ALA A 145 2.992 11.852 -8.990 1.00 0.00 C ATOM 278 O ALA A 145 3.205 11.691 -10.192 1.00 0.00 O ATOM 279 CB ALA A 145 0.804 12.880 -9.631 1.00 0.00 C ATOM 0 H ALA A 145 1.521 14.177 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 145 1.110 11.368 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.758 12.177 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -0.206 13.099 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.282 13.802 -9.961 1.00 0.00 H new ATOM 285 N ASP A 146 3.924 11.666 -8.063 1.00 0.00 N ATOM 286 CA ASP A 146 5.277 11.252 -8.416 1.00 0.00 C ATOM 287 C ASP A 146 5.994 10.665 -7.209 1.00 0.00 C ATOM 288 O ASP A 146 7.196 10.860 -7.032 1.00 0.00 O ATOM 289 CB ASP A 146 6.070 12.434 -8.978 1.00 0.00 C ATOM 290 CG ASP A 146 5.911 12.574 -10.479 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.427 11.707 -11.215 1.00 0.00 O ATOM 292 OD2 ASP A 146 5.269 13.552 -10.919 1.00 0.00 O ATOM 0 H ASP A 146 3.769 11.795 -7.063 1.00 0.00 H new ATOM 0 HA ASP A 146 5.206 10.481 -9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.740 13.353 -8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.126 12.307 -8.737 1.00 0.00 H new ATOM 297 N PHE A 147 5.249 9.944 -6.380 1.00 0.00 N ATOM 298 CA PHE A 147 5.816 9.329 -5.186 1.00 0.00 C ATOM 299 C PHE A 147 5.043 8.074 -4.797 1.00 0.00 C ATOM 300 O PHE A 147 3.877 7.912 -5.160 1.00 0.00 O ATOM 301 CB PHE A 147 5.811 10.324 -4.023 1.00 0.00 C ATOM 302 CG PHE A 147 6.317 11.689 -4.396 1.00 0.00 C ATOM 303 CD1 PHE A 147 5.456 12.641 -4.920 1.00 0.00 C ATOM 304 CD2 PHE A 147 7.652 12.018 -4.224 1.00 0.00 C ATOM 305 CE1 PHE A 147 5.920 13.897 -5.264 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.120 13.272 -4.565 1.00 0.00 C ATOM 307 CZ PHE A 147 7.253 14.213 -5.087 1.00 0.00 C ATOM 0 H PHE A 147 4.253 9.771 -6.512 1.00 0.00 H new ATOM 0 HA PHE A 147 6.844 9.045 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.795 10.415 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.424 9.927 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.413 12.399 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.334 11.286 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 147 5.240 14.631 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 147 9.162 13.517 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 147 7.617 15.194 -5.356 1.00 0.00 H new ATOM 317 N THR A 148 5.699 7.189 -4.055 1.00 0.00 N ATOM 318 CA THR A 148 5.074 5.949 -3.612 1.00 0.00 C ATOM 319 C THR A 148 4.830 5.978 -2.108 1.00 0.00 C ATOM 320 O THR A 148 5.084 6.986 -1.448 1.00 0.00 O ATOM 321 CB THR A 148 5.951 4.751 -3.981 1.00 0.00 C ATOM 322 OG1 THR A 148 5.388 3.546 -3.492 1.00 0.00 O ATOM 323 CG2 THR A 148 7.361 4.852 -3.440 1.00 0.00 C ATOM 0 H THR A 148 6.664 7.308 -3.748 1.00 0.00 H new ATOM 0 HA THR A 148 4.113 5.850 -4.116 1.00 0.00 H new ATOM 0 HB THR A 148 5.996 4.752 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 148 5.350 2.886 -4.215 1.00 0.00 H new ATOM 0 HG21 THR A 148 7.929 3.971 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 148 7.841 5.745 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 148 7.330 4.913 -2.352 1.00 0.00 H new ATOM 331 N GLY A 149 4.338 4.869 -1.569 1.00 0.00 N ATOM 332 CA GLY A 149 4.069 4.798 -0.146 1.00 0.00 C ATOM 333 C GLY A 149 4.105 3.380 0.388 1.00 0.00 C ATOM 334 O GLY A 149 3.628 2.451 -0.264 1.00 0.00 O ATOM 0 H GLY A 149 4.121 4.020 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.803 5.401 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.090 5.233 0.056 1.00 0.00 H new ATOM 338 N THR A 150 4.668 3.219 1.581 1.00 0.00 N ATOM 339 CA THR A 150 4.764 1.911 2.216 1.00 0.00 C ATOM 340 C THR A 150 3.584 1.682 3.156 1.00 0.00 C ATOM 341 O THR A 150 3.482 2.318 4.204 1.00 0.00 O ATOM 342 CB THR A 150 6.076 1.793 2.991 1.00 0.00 C ATOM 343 OG1 THR A 150 7.167 2.230 2.200 1.00 0.00 O ATOM 344 CG2 THR A 150 6.378 0.383 3.451 1.00 0.00 C ATOM 0 H THR A 150 5.066 3.982 2.129 1.00 0.00 H new ATOM 0 HA THR A 150 4.742 1.150 1.436 1.00 0.00 H new ATOM 0 HB THR A 150 5.948 2.424 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.935 1.639 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.323 0.372 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.579 0.035 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.450 -0.275 2.585 1.00 0.00 H new ATOM 352 N VAL A 151 2.694 0.771 2.774 1.00 0.00 N ATOM 353 CA VAL A 151 1.521 0.464 3.584 1.00 0.00 C ATOM 354 C VAL A 151 1.922 0.014 4.985 1.00 0.00 C ATOM 355 O VAL A 151 2.572 -1.017 5.156 1.00 0.00 O ATOM 356 CB VAL A 151 0.654 -0.630 2.931 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.631 -0.835 3.721 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.347 -0.279 1.482 1.00 0.00 C ATOM 0 H VAL A 151 2.763 0.233 1.910 1.00 0.00 H new ATOM 0 HA VAL A 151 0.938 1.382 3.654 1.00 0.00 H new ATOM 0 HB VAL A 151 1.215 -1.565 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.231 -1.611 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.388 -1.138 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.196 0.097 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.266 -1.064 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.192 0.668 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.279 -0.189 0.924 1.00 0.00 H new ATOM 368 N THR A 152 1.528 0.795 5.985 1.00 0.00 N ATOM 369 CA THR A 152 1.843 0.479 7.374 1.00 0.00 C ATOM 370 C THR A 152 0.584 0.097 8.147 1.00 0.00 C ATOM 371 O THR A 152 0.640 -0.685 9.096 1.00 0.00 O ATOM 372 CB THR A 152 2.526 1.671 8.045 1.00 0.00 C ATOM 373 OG1 THR A 152 2.041 2.892 7.517 1.00 0.00 O ATOM 374 CG2 THR A 152 4.031 1.666 7.883 1.00 0.00 C ATOM 0 H THR A 152 0.990 1.652 5.860 1.00 0.00 H new ATOM 0 HA THR A 152 2.522 -0.374 7.382 1.00 0.00 H new ATOM 0 HB THR A 152 2.289 1.579 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.490 3.642 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.454 2.538 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.442 0.759 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.283 1.697 6.823 1.00 0.00 H new ATOM 382 N GLU A 153 -0.552 0.654 7.737 1.00 0.00 N ATOM 383 CA GLU A 153 -1.823 0.371 8.393 1.00 0.00 C ATOM 384 C GLU A 153 -2.924 0.126 7.366 1.00 0.00 C ATOM 385 O GLU A 153 -2.754 0.408 6.179 1.00 0.00 O ATOM 386 CB GLU A 153 -2.214 1.529 9.315 1.00 0.00 C ATOM 387 CG GLU A 153 -1.930 1.259 10.784 1.00 0.00 C ATOM 388 CD GLU A 153 -1.041 2.315 11.411 1.00 0.00 C ATOM 389 OE1 GLU A 153 -1.202 3.506 11.072 1.00 0.00 O ATOM 390 OE2 GLU A 153 -0.182 1.950 12.241 1.00 0.00 O ATOM 0 H GLU A 153 -0.617 1.304 6.954 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.702 -0.533 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.675 2.425 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.277 1.738 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.872 1.213 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.455 0.283 10.885 1.00 0.00 H new ATOM 397 N ILE A 154 -4.053 -0.400 7.830 1.00 0.00 N ATOM 398 CA ILE A 154 -5.182 -0.683 6.952 1.00 0.00 C ATOM 399 C ILE A 154 -6.508 -0.457 7.670 1.00 0.00 C ATOM 400 O ILE A 154 -6.697 -0.906 8.801 1.00 0.00 O ATOM 401 CB ILE A 154 -5.137 -2.131 6.426 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.965 -3.113 7.586 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.012 -2.293 5.415 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.063 -4.565 7.169 1.00 0.00 C ATOM 0 H ILE A 154 -4.210 -0.639 8.809 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.106 0.004 6.110 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.081 -2.350 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.996 -2.943 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.724 -2.908 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.993 -3.321 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.176 -1.616 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.059 -2.058 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -4.931 -5.204 8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.042 -4.751 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.286 -4.787 6.437 1.00 0.00 H new ATOM 416 N ASN A 155 -7.424 0.240 7.006 1.00 0.00 N ATOM 417 CA ASN A 155 -8.734 0.525 7.581 1.00 0.00 C ATOM 418 C ASN A 155 -9.842 -0.120 6.752 1.00 0.00 C ATOM 419 O ASN A 155 -10.476 0.541 5.930 1.00 0.00 O ATOM 420 CB ASN A 155 -8.959 2.035 7.669 1.00 0.00 C ATOM 421 CG ASN A 155 -8.279 2.653 8.874 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.223 3.273 8.755 1.00 0.00 O ATOM 423 ND2 ASN A 155 -8.884 2.484 10.044 1.00 0.00 N ATOM 0 H ASN A 155 -7.284 0.618 6.069 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.763 0.103 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.584 2.509 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.029 2.238 7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -8.474 2.876 10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.759 1.962 10.095 1.00 0.00 H new ATOM 430 N PRO A 156 -10.091 -1.425 6.957 1.00 0.00 N ATOM 431 CA PRO A 156 -11.128 -2.157 6.224 1.00 0.00 C ATOM 432 C PRO A 156 -12.534 -1.752 6.655 1.00 0.00 C ATOM 433 O PRO A 156 -13.466 -1.759 5.851 1.00 0.00 O ATOM 434 CB PRO A 156 -10.857 -3.616 6.588 1.00 0.00 C ATOM 435 CG PRO A 156 -10.191 -3.557 7.919 1.00 0.00 C ATOM 436 CD PRO A 156 -9.380 -2.289 7.920 1.00 0.00 C ATOM 0 HA PRO A 156 -11.089 -1.958 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.782 -4.191 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.219 -4.097 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.926 -3.551 8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.554 -4.428 8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.341 -1.838 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.350 -2.471 7.612 1.00 0.00 H new ATOM 444 N GLU A 157 -12.678 -1.401 7.929 1.00 0.00 N ATOM 445 CA GLU A 157 -13.969 -0.990 8.468 1.00 0.00 C ATOM 446 C GLU A 157 -14.502 0.234 7.731 1.00 0.00 C ATOM 447 O GLU A 157 -15.707 0.372 7.523 1.00 0.00 O ATOM 448 CB GLU A 157 -13.848 -0.693 9.965 1.00 0.00 C ATOM 449 CG GLU A 157 -14.693 -1.608 10.837 1.00 0.00 C ATOM 450 CD GLU A 157 -15.203 -0.914 12.084 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.416 -0.753 13.040 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.392 -0.532 12.105 1.00 0.00 O ATOM 0 H GLU A 157 -11.916 -1.393 8.607 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.674 -1.809 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.803 -0.785 10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.141 0.341 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.540 -1.976 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.102 -2.477 11.125 1.00 0.00 H new ATOM 459 N ARG A 158 -13.594 1.122 7.338 1.00 0.00 N ATOM 460 CA ARG A 158 -13.970 2.336 6.624 1.00 0.00 C ATOM 461 C ARG A 158 -13.689 2.199 5.130 1.00 0.00 C ATOM 462 O ARG A 158 -14.421 2.736 4.300 1.00 0.00 O ATOM 463 CB ARG A 158 -13.214 3.540 7.187 1.00 0.00 C ATOM 464 CG ARG A 158 -13.593 3.883 8.618 1.00 0.00 C ATOM 465 CD ARG A 158 -14.693 4.931 8.669 1.00 0.00 C ATOM 466 NE ARG A 158 -14.238 6.175 9.285 1.00 0.00 N ATOM 467 CZ ARG A 158 -14.099 6.345 10.599 1.00 0.00 C ATOM 468 NH1 ARG A 158 -14.378 5.354 11.436 1.00 0.00 N ATOM 469 NH2 ARG A 158 -13.680 7.509 11.075 1.00 0.00 N ATOM 0 H ARG A 158 -12.592 1.023 7.502 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.040 2.490 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.144 3.339 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.403 4.406 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.924 2.981 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -12.715 4.250 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.046 5.135 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -15.541 4.539 9.229 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.014 6.960 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -14.701 4.457 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.270 5.490 12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -13.464 8.274 10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -13.573 7.640 12.081 1.00 0.00 H new ATOM 483 N GLY A 159 -12.625 1.475 4.799 1.00 0.00 N ATOM 484 CA GLY A 159 -12.267 1.280 3.406 1.00 0.00 C ATOM 485 C GLY A 159 -11.163 2.215 2.956 1.00 0.00 C ATOM 486 O GLY A 159 -11.233 2.794 1.872 1.00 0.00 O ATOM 0 H GLY A 159 -12.005 1.020 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.949 0.248 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.147 1.435 2.782 1.00 0.00 H new ATOM 490 N LYS A 160 -10.139 2.364 3.790 1.00 0.00 N ATOM 491 CA LYS A 160 -9.013 3.236 3.476 1.00 0.00 C ATOM 492 C LYS A 160 -7.696 2.597 3.902 1.00 0.00 C ATOM 493 O LYS A 160 -7.664 1.746 4.790 1.00 0.00 O ATOM 494 CB LYS A 160 -9.184 4.593 4.163 1.00 0.00 C ATOM 495 CG LYS A 160 -9.666 5.691 3.228 1.00 0.00 C ATOM 496 CD LYS A 160 -10.045 6.950 3.992 1.00 0.00 C ATOM 497 CE LYS A 160 -11.553 7.132 4.058 1.00 0.00 C ATOM 498 NZ LYS A 160 -12.147 6.441 5.236 1.00 0.00 N ATOM 0 H LYS A 160 -10.066 1.891 4.691 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.990 3.385 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.893 4.489 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.232 4.892 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -8.883 5.924 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -10.527 5.335 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.640 6.899 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.594 7.818 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.788 8.195 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -12.005 6.745 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -13.176 6.590 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -11.945 5.422 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -11.735 6.827 6.109 1.00 0.00 H new ATOM 512 N VAL A 161 -6.608 3.017 3.263 1.00 0.00 N ATOM 513 CA VAL A 161 -5.284 2.491 3.577 1.00 0.00 C ATOM 514 C VAL A 161 -4.328 3.615 3.957 1.00 0.00 C ATOM 515 O VAL A 161 -4.561 4.781 3.637 1.00 0.00 O ATOM 516 CB VAL A 161 -4.702 1.683 2.391 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.002 2.373 1.070 1.00 0.00 C ATOM 518 CG2 VAL A 161 -3.204 1.449 2.547 1.00 0.00 C ATOM 0 H VAL A 161 -6.617 3.720 2.524 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.395 1.820 4.429 1.00 0.00 H new ATOM 0 HB VAL A 161 -5.188 0.707 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.584 1.788 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -6.081 2.459 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.556 3.368 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -2.834 0.879 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.689 2.408 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.016 0.892 3.465 1.00 0.00 H new ATOM 528 N LYS A 162 -3.257 3.252 4.647 1.00 0.00 N ATOM 529 CA LYS A 162 -2.262 4.224 5.081 1.00 0.00 C ATOM 530 C LYS A 162 -0.856 3.791 4.678 1.00 0.00 C ATOM 531 O LYS A 162 -0.513 2.612 4.757 1.00 0.00 O ATOM 532 CB LYS A 162 -2.331 4.413 6.596 1.00 0.00 C ATOM 533 CG LYS A 162 -1.425 5.520 7.107 1.00 0.00 C ATOM 534 CD LYS A 162 -1.363 5.534 8.627 1.00 0.00 C ATOM 535 CE LYS A 162 -0.008 5.067 9.135 1.00 0.00 C ATOM 536 NZ LYS A 162 0.273 5.567 10.508 1.00 0.00 N ATOM 0 H LYS A 162 -3.054 2.290 4.919 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.484 5.171 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.360 4.635 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -2.060 3.477 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.422 5.386 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.788 6.483 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.561 6.542 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -2.145 4.890 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.025 3.978 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.772 5.412 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 1.287 5.465 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 0.005 6.570 10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -0.277 5.016 11.198 1.00 0.00 H new ATOM 550 N VAL A 163 -0.045 4.755 4.247 1.00 0.00 N ATOM 551 CA VAL A 163 1.324 4.475 3.832 1.00 0.00 C ATOM 552 C VAL A 163 2.280 5.563 4.311 1.00 0.00 C ATOM 553 O VAL A 163 1.867 6.527 4.958 1.00 0.00 O ATOM 554 CB VAL A 163 1.435 4.356 2.300 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.579 3.210 1.784 1.00 0.00 C ATOM 556 CG2 VAL A 163 1.044 5.665 1.631 1.00 0.00 C ATOM 0 H VAL A 163 -0.314 5.736 4.177 1.00 0.00 H new ATOM 0 HA VAL A 163 1.600 3.524 4.287 1.00 0.00 H new ATOM 0 HB VAL A 163 2.474 4.142 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.673 3.145 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.913 2.275 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.464 3.387 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.129 5.560 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.015 5.914 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.707 6.460 1.972 1.00 0.00 H new ATOM 566 N MET A 164 3.558 5.407 3.980 1.00 0.00 N ATOM 567 CA MET A 164 4.575 6.378 4.366 1.00 0.00 C ATOM 568 C MET A 164 5.256 6.966 3.132 1.00 0.00 C ATOM 569 O MET A 164 5.976 6.270 2.417 1.00 0.00 O ATOM 570 CB MET A 164 5.613 5.727 5.288 1.00 0.00 C ATOM 571 CG MET A 164 6.527 4.734 4.586 1.00 0.00 C ATOM 572 SD MET A 164 8.144 5.431 4.197 1.00 0.00 S ATOM 573 CE MET A 164 8.391 4.814 2.534 1.00 0.00 C ATOM 0 H MET A 164 3.914 4.615 3.444 1.00 0.00 H new ATOM 0 HA MET A 164 4.087 7.188 4.907 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.223 6.509 5.741 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.094 5.217 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.657 3.856 5.219 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.051 4.396 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 164 8.912 5.566 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.987 3.902 2.569 1.00 0.00 H new ATOM 0 HE3 MET A 164 7.424 4.598 2.079 1.00 0.00 H new ATOM 583 N VAL A 165 5.018 8.250 2.885 1.00 0.00 N ATOM 584 CA VAL A 165 5.605 8.927 1.735 1.00 0.00 C ATOM 585 C VAL A 165 6.849 9.713 2.132 1.00 0.00 C ATOM 586 O VAL A 165 7.122 9.908 3.315 1.00 0.00 O ATOM 587 CB VAL A 165 4.599 9.885 1.069 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.436 9.109 0.470 1.00 0.00 C ATOM 589 CG2 VAL A 165 4.102 10.917 2.070 1.00 0.00 C ATOM 0 H VAL A 165 4.423 8.842 3.465 1.00 0.00 H new ATOM 0 HA VAL A 165 5.881 8.150 1.023 1.00 0.00 H new ATOM 0 HB VAL A 165 5.107 10.411 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.737 9.803 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.811 8.414 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.926 8.553 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 165 3.392 11.585 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.611 10.411 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.946 11.496 2.445 1.00 0.00 H new ATOM 599 N THR A 166 7.601 10.161 1.131 1.00 0.00 N ATOM 600 CA THR A 166 8.819 10.927 1.373 1.00 0.00 C ATOM 601 C THR A 166 8.965 12.051 0.351 1.00 0.00 C ATOM 602 O THR A 166 9.717 11.929 -0.616 1.00 0.00 O ATOM 603 CB THR A 166 10.042 10.011 1.319 1.00 0.00 C ATOM 604 OG1 THR A 166 9.692 8.688 1.682 1.00 0.00 O ATOM 605 CG2 THR A 166 11.164 10.457 2.231 1.00 0.00 C ATOM 0 H THR A 166 7.388 10.007 0.145 1.00 0.00 H new ATOM 0 HA THR A 166 8.750 11.369 2.367 1.00 0.00 H new ATOM 0 HB THR A 166 10.394 10.058 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.487 8.116 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 166 12.001 9.764 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 166 11.490 11.457 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.811 10.472 3.262 1.00 0.00 H new ATOM 613 N ILE A 167 8.243 13.144 0.571 1.00 0.00 N ATOM 614 CA ILE A 167 8.293 14.287 -0.330 1.00 0.00 C ATOM 615 C ILE A 167 9.519 15.151 -0.056 1.00 0.00 C ATOM 616 O ILE A 167 9.590 15.841 0.961 1.00 0.00 O ATOM 617 CB ILE A 167 7.028 15.159 -0.207 1.00 0.00 C ATOM 618 CG1 ILE A 167 5.771 14.292 -0.291 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.014 16.229 -1.287 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.648 13.531 -1.593 1.00 0.00 C ATOM 0 H ILE A 167 7.616 13.262 1.367 1.00 0.00 H new ATOM 0 HA ILE A 167 8.352 13.886 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 167 7.040 15.652 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.773 13.582 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 167 4.893 14.926 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.114 16.836 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.894 16.864 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.024 15.755 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.734 12.938 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 167 5.614 14.235 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 167 6.507 12.871 -1.711 1.00 0.00 H new ATOM 632 N PHE A 168 10.485 15.106 -0.969 1.00 0.00 N ATOM 633 CA PHE A 168 11.709 15.884 -0.826 1.00 0.00 C ATOM 634 C PHE A 168 12.444 15.513 0.460 1.00 0.00 C ATOM 635 O PHE A 168 12.740 16.370 1.292 1.00 0.00 O ATOM 636 CB PHE A 168 11.392 17.382 -0.841 1.00 0.00 C ATOM 637 CG PHE A 168 11.565 18.019 -2.190 1.00 0.00 C ATOM 638 CD1 PHE A 168 10.794 17.611 -3.267 1.00 0.00 C ATOM 639 CD2 PHE A 168 12.499 19.024 -2.381 1.00 0.00 C ATOM 640 CE1 PHE A 168 10.950 18.194 -4.509 1.00 0.00 C ATOM 641 CE2 PHE A 168 12.662 19.610 -3.622 1.00 0.00 C ATOM 642 CZ PHE A 168 11.886 19.195 -4.687 1.00 0.00 C ATOM 0 H PHE A 168 10.443 14.539 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 168 12.359 15.652 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.365 17.531 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 168 12.037 17.889 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 168 10.062 16.828 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 168 13.107 19.353 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 168 10.342 17.868 -5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 168 13.395 20.391 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.011 19.652 -5.657 1.00 0.00 H new ATOM 652 N GLY A 169 12.736 14.225 0.615 1.00 0.00 N ATOM 653 CA GLY A 169 13.433 13.758 1.799 1.00 0.00 C ATOM 654 C GLY A 169 12.700 14.105 3.081 1.00 0.00 C ATOM 655 O GLY A 169 13.319 14.507 4.067 1.00 0.00 O ATOM 0 H GLY A 169 12.502 13.496 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.561 12.677 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.431 14.196 1.825 1.00 0.00 H new ATOM 659 N ARG A 170 11.381 13.953 3.068 1.00 0.00 N ATOM 660 CA ARG A 170 10.565 14.254 4.238 1.00 0.00 C ATOM 661 C ARG A 170 9.498 13.184 4.448 1.00 0.00 C ATOM 662 O ARG A 170 8.512 13.124 3.713 1.00 0.00 O ATOM 663 CB ARG A 170 9.909 15.628 4.089 1.00 0.00 C ATOM 664 CG ARG A 170 10.003 16.484 5.342 1.00 0.00 C ATOM 665 CD ARG A 170 9.028 17.650 5.297 1.00 0.00 C ATOM 666 NE ARG A 170 9.031 18.414 6.541 1.00 0.00 N ATOM 667 CZ ARG A 170 8.555 19.652 6.653 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.036 20.269 5.597 1.00 0.00 N ATOM 669 NH2 ARG A 170 8.596 20.276 7.822 1.00 0.00 N ATOM 0 H ARG A 170 10.854 13.623 2.260 1.00 0.00 H new ATOM 0 HA ARG A 170 11.217 14.265 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.379 16.158 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 170 8.859 15.494 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 170 9.797 15.870 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.019 16.863 5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 170 9.287 18.307 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 170 8.023 17.275 5.104 1.00 0.00 H new ATOM 0 HE ARG A 170 9.421 17.973 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.001 19.794 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 170 7.673 21.218 5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 170 8.993 19.807 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 170 8.231 21.225 7.907 1.00 0.00 H new ATOM 683 N GLU A 171 9.701 12.343 5.457 1.00 0.00 N ATOM 684 CA GLU A 171 8.757 11.275 5.766 1.00 0.00 C ATOM 685 C GLU A 171 7.490 11.837 6.404 1.00 0.00 C ATOM 686 O GLU A 171 7.552 12.570 7.390 1.00 0.00 O ATOM 687 CB GLU A 171 9.401 10.251 6.701 1.00 0.00 C ATOM 688 CG GLU A 171 9.940 10.857 7.988 1.00 0.00 C ATOM 689 CD GLU A 171 9.314 10.247 9.229 1.00 0.00 C ATOM 690 OE1 GLU A 171 8.107 10.474 9.457 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.031 9.545 9.972 1.00 0.00 O ATOM 0 H GLU A 171 10.512 12.381 6.075 1.00 0.00 H new ATOM 0 HA GLU A 171 8.485 10.783 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.666 9.485 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 171 10.215 9.752 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 171 11.021 10.719 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.756 11.931 7.984 1.00 0.00 H new ATOM 698 N THR A 172 6.342 11.486 5.835 1.00 0.00 N ATOM 699 CA THR A 172 5.060 11.955 6.348 1.00 0.00 C ATOM 700 C THR A 172 3.973 10.900 6.139 1.00 0.00 C ATOM 701 O THR A 172 3.829 10.358 5.043 1.00 0.00 O ATOM 702 CB THR A 172 4.659 13.260 5.661 1.00 0.00 C ATOM 703 OG1 THR A 172 5.678 14.233 5.800 1.00 0.00 O ATOM 704 CG2 THR A 172 3.379 13.855 6.208 1.00 0.00 C ATOM 0 H THR A 172 6.273 10.878 5.019 1.00 0.00 H new ATOM 0 HA THR A 172 5.167 12.135 7.418 1.00 0.00 H new ATOM 0 HB THR A 172 4.502 12.999 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.403 15.060 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.152 14.779 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.561 13.147 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.501 14.067 7.270 1.00 0.00 H new ATOM 712 N PRO A 173 3.189 10.592 7.189 1.00 0.00 N ATOM 713 CA PRO A 173 2.116 9.597 7.106 1.00 0.00 C ATOM 714 C PRO A 173 0.898 10.117 6.350 1.00 0.00 C ATOM 715 O PRO A 173 0.145 10.945 6.863 1.00 0.00 O ATOM 716 CB PRO A 173 1.766 9.340 8.571 1.00 0.00 C ATOM 717 CG PRO A 173 2.100 10.615 9.265 1.00 0.00 C ATOM 718 CD PRO A 173 3.287 11.187 8.537 1.00 0.00 C ATOM 0 HA PRO A 173 2.426 8.705 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 173 0.712 9.089 8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.340 8.506 8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 173 1.257 11.305 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 173 2.335 10.438 10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 173 3.247 12.276 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 173 4.224 10.920 9.026 1.00 0.00 H new ATOM 726 N VAL A 174 0.710 9.625 5.130 1.00 0.00 N ATOM 727 CA VAL A 174 -0.417 10.039 4.303 1.00 0.00 C ATOM 728 C VAL A 174 -1.313 8.851 3.966 1.00 0.00 C ATOM 729 O VAL A 174 -0.853 7.852 3.414 1.00 0.00 O ATOM 730 CB VAL A 174 0.058 10.703 2.995 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.862 9.723 2.154 1.00 0.00 C ATOM 732 CG2 VAL A 174 -1.128 11.245 2.208 1.00 0.00 C ATOM 0 H VAL A 174 1.324 8.939 4.692 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.986 10.767 4.881 1.00 0.00 H new ATOM 0 HB VAL A 174 0.708 11.540 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 174 1.187 10.213 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 174 1.735 9.391 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 174 0.241 8.862 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -0.773 11.710 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -1.806 10.428 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -1.655 11.986 2.809 1.00 0.00 H new ATOM 742 N GLU A 175 -2.594 8.967 4.301 1.00 0.00 N ATOM 743 CA GLU A 175 -3.552 7.900 4.031 1.00 0.00 C ATOM 744 C GLU A 175 -4.155 8.053 2.639 1.00 0.00 C ATOM 745 O GLU A 175 -4.418 9.166 2.184 1.00 0.00 O ATOM 746 CB GLU A 175 -4.660 7.897 5.089 1.00 0.00 C ATOM 747 CG GLU A 175 -4.165 8.185 6.496 1.00 0.00 C ATOM 748 CD GLU A 175 -5.295 8.472 7.466 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.444 8.082 7.171 1.00 0.00 O ATOM 750 OE2 GLU A 175 -5.032 9.088 8.521 1.00 0.00 O ATOM 0 H GLU A 175 -2.992 9.787 4.759 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.022 6.949 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.410 8.640 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.156 6.926 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -3.590 7.332 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -3.487 9.038 6.471 1.00 0.00 H new ATOM 757 N LEU A 176 -4.365 6.927 1.963 1.00 0.00 N ATOM 758 CA LEU A 176 -4.930 6.935 0.617 1.00 0.00 C ATOM 759 C LEU A 176 -5.956 5.829 0.447 1.00 0.00 C ATOM 760 O LEU A 176 -6.439 5.251 1.421 1.00 0.00 O ATOM 761 CB LEU A 176 -3.838 6.733 -0.437 1.00 0.00 C ATOM 762 CG LEU A 176 -2.396 6.853 0.063 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.858 5.490 0.471 1.00 0.00 C ATOM 764 CD2 LEU A 176 -1.513 7.482 -1.006 1.00 0.00 C ATOM 0 H LEU A 176 -4.152 5.997 2.325 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.406 7.906 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.967 5.746 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.988 7.463 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.386 7.500 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.832 5.595 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.476 5.079 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.880 4.818 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.491 7.560 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.527 6.861 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -1.888 8.476 -1.249 1.00 0.00 H new ATOM 776 N ASP A 177 -6.256 5.521 -0.811 1.00 0.00 N ATOM 777 CA ASP A 177 -7.189 4.467 -1.132 1.00 0.00 C ATOM 778 C ASP A 177 -6.770 3.767 -2.420 1.00 0.00 C ATOM 779 O ASP A 177 -6.124 4.363 -3.281 1.00 0.00 O ATOM 780 CB ASP A 177 -8.616 5.006 -1.265 1.00 0.00 C ATOM 781 CG ASP A 177 -8.916 6.125 -0.285 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.211 7.155 -0.323 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.860 5.972 0.519 1.00 0.00 O ATOM 0 H ASP A 177 -5.860 5.994 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.176 3.748 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.769 5.369 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.323 4.192 -1.107 1.00 0.00 H new ATOM 788 N PHE A 178 -7.137 2.499 -2.540 1.00 0.00 N ATOM 789 CA PHE A 178 -6.798 1.704 -3.717 1.00 0.00 C ATOM 790 C PHE A 178 -7.136 2.447 -5.009 1.00 0.00 C ATOM 791 O PHE A 178 -6.408 2.350 -5.998 1.00 0.00 O ATOM 792 CB PHE A 178 -7.537 0.365 -3.680 1.00 0.00 C ATOM 793 CG PHE A 178 -7.006 -0.586 -2.645 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.864 -1.332 -2.890 1.00 0.00 C ATOM 795 CD2 PHE A 178 -7.648 -0.731 -1.425 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.373 -2.205 -1.940 1.00 0.00 C ATOM 797 CE2 PHE A 178 -7.160 -1.604 -0.470 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.021 -2.343 -0.729 1.00 0.00 C ATOM 0 H PHE A 178 -7.673 1.994 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.723 1.526 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.594 0.548 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.470 -0.105 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.352 -1.229 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -8.539 -0.156 -1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.482 -2.780 -2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -7.668 -1.708 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.639 -3.027 0.014 1.00 0.00 H new ATOM 808 N SER A 179 -8.242 3.182 -4.994 1.00 0.00 N ATOM 809 CA SER A 179 -8.674 3.937 -6.167 1.00 0.00 C ATOM 810 C SER A 179 -7.834 5.197 -6.364 1.00 0.00 C ATOM 811 O SER A 179 -7.939 5.866 -7.394 1.00 0.00 O ATOM 812 CB SER A 179 -10.152 4.312 -6.036 1.00 0.00 C ATOM 813 OG SER A 179 -10.317 5.459 -5.219 1.00 0.00 O ATOM 0 H SER A 179 -8.856 3.272 -4.184 1.00 0.00 H new ATOM 0 HA SER A 179 -8.536 3.301 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.571 4.502 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.706 3.476 -5.610 1.00 0.00 H new ATOM 0 HG SER A 179 -11.270 5.679 -5.153 1.00 0.00 H new ATOM 819 N GLN A 180 -7.003 5.524 -5.377 1.00 0.00 N ATOM 820 CA GLN A 180 -6.152 6.709 -5.455 1.00 0.00 C ATOM 821 C GLN A 180 -4.672 6.337 -5.403 1.00 0.00 C ATOM 822 O GLN A 180 -3.826 7.172 -5.075 1.00 0.00 O ATOM 823 CB GLN A 180 -6.488 7.673 -4.316 1.00 0.00 C ATOM 824 CG GLN A 180 -7.730 8.509 -4.572 1.00 0.00 C ATOM 825 CD GLN A 180 -7.831 9.704 -3.644 1.00 0.00 C ATOM 826 OE1 GLN A 180 -7.694 10.850 -4.072 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.072 9.441 -2.365 1.00 0.00 N ATOM 0 H GLN A 180 -6.901 4.987 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.344 7.197 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.627 7.102 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.640 8.338 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.723 8.856 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.615 7.884 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.179 8.475 -2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -8.151 10.205 -1.693 1.00 0.00 H new ATOM 836 N VAL A 181 -4.360 5.086 -5.732 1.00 0.00 N ATOM 837 CA VAL A 181 -2.978 4.619 -5.723 1.00 0.00 C ATOM 838 C VAL A 181 -2.776 3.475 -6.709 1.00 0.00 C ATOM 839 O VAL A 181 -3.675 2.662 -6.927 1.00 0.00 O ATOM 840 CB VAL A 181 -2.550 4.153 -4.319 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.465 5.337 -3.367 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.511 3.098 -3.787 1.00 0.00 C ATOM 0 H VAL A 181 -5.043 4.380 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.359 5.465 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.560 3.703 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -2.161 4.989 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.733 6.053 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.440 5.819 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.191 2.782 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.515 3.517 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.515 2.239 -4.457 1.00 0.00 H new ATOM 852 N VAL A 182 -1.589 3.417 -7.304 1.00 0.00 N ATOM 853 CA VAL A 182 -1.265 2.371 -8.268 1.00 0.00 C ATOM 854 C VAL A 182 -0.166 1.456 -7.738 1.00 0.00 C ATOM 855 O VAL A 182 0.731 1.898 -7.021 1.00 0.00 O ATOM 856 CB VAL A 182 -0.814 2.966 -9.614 1.00 0.00 C ATOM 857 CG1 VAL A 182 -1.958 3.721 -10.275 1.00 0.00 C ATOM 858 CG2 VAL A 182 0.391 3.874 -9.418 1.00 0.00 C ATOM 0 H VAL A 182 -0.835 4.083 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.175 1.792 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.521 2.148 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -1.620 4.134 -11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.790 3.039 -10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.284 4.531 -9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.696 4.286 -10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.127 4.687 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 182 1.214 3.300 -8.992 1.00 0.00 H new ATOM 868 N LYS A 183 -0.242 0.180 -8.098 1.00 0.00 N ATOM 869 CA LYS A 183 0.747 -0.799 -7.661 1.00 0.00 C ATOM 870 C LYS A 183 2.003 -0.729 -8.525 1.00 0.00 C ATOM 871 O LYS A 183 1.921 -0.614 -9.747 1.00 0.00 O ATOM 872 CB LYS A 183 0.156 -2.209 -7.710 1.00 0.00 C ATOM 873 CG LYS A 183 0.479 -3.048 -6.483 1.00 0.00 C ATOM 874 CD LYS A 183 -0.319 -4.340 -6.467 1.00 0.00 C ATOM 875 CE LYS A 183 -1.611 -4.188 -5.677 1.00 0.00 C ATOM 876 NZ LYS A 183 -2.506 -5.366 -5.845 1.00 0.00 N ATOM 0 H LYS A 183 -0.979 -0.201 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 183 1.023 -0.565 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.926 -2.137 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.529 -2.720 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.545 -3.277 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.263 -2.474 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.550 -4.639 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 183 0.284 -5.136 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -1.377 -4.057 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.132 -3.287 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -3.375 -5.224 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -2.750 -5.476 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -2.019 -6.222 -5.511 1.00 0.00 H new ATOM 890 N ALA A 184 3.163 -0.801 -7.880 1.00 0.00 N ATOM 891 CA ALA A 184 4.435 -0.746 -8.592 1.00 0.00 C ATOM 892 C ALA A 184 5.173 -2.077 -8.498 1.00 0.00 C ATOM 893 O ALA A 184 5.048 -2.750 -7.453 1.00 0.00 O ATOM 894 CB ALA A 184 5.299 0.377 -8.042 1.00 0.00 C ATOM 895 OXT ALA A 184 5.870 -2.437 -9.470 1.00 0.00 O ATOM 0 H ALA A 184 3.249 -0.897 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 184 4.227 -0.548 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.245 0.406 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.781 1.328 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.491 0.203 -6.983 1.00 0.00 H new