USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=10 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 136 GLN : amide:sc= 1.12 K(o=2.4,f=-1.7) USER MOD Set 1.2: A 148 THR OG1 : rot -176:sc= 1.24 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 155 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.1!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 171:sc= -0.173 (180deg=-0.369) USER MOD Single : A 164 MET CE :methyl -132:sc= -0.95 (180deg=-3.32!) USER MOD Single : A 166 THR OG1 : rot -107:sc= 0.215 USER MOD Single : A 172 THR OG1 : rot 80:sc= -0.265 USER MOD Single : A 179 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 180 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.9!) USER MOD Single : A 183 LYS NZ :NH3+ 156:sc= -0.0304 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -1.469 -6.287 -0.807 1.00 0.00 N ATOM 77 CA ARG A 132 -0.868 -6.900 0.372 1.00 0.00 C ATOM 78 C ARG A 132 -0.107 -5.866 1.195 1.00 0.00 C ATOM 79 O ARG A 132 0.476 -4.926 0.651 1.00 0.00 O ATOM 80 CB ARG A 132 0.071 -8.034 -0.041 1.00 0.00 C ATOM 81 CG ARG A 132 0.019 -9.234 0.891 1.00 0.00 C ATOM 82 CD ARG A 132 0.859 -10.386 0.365 1.00 0.00 C ATOM 83 NE ARG A 132 0.432 -11.670 0.915 1.00 0.00 N ATOM 84 CZ ARG A 132 -0.627 -12.349 0.480 1.00 0.00 C ATOM 85 NH1 ARG A 132 -1.367 -11.871 -0.513 1.00 0.00 N ATOM 86 NH2 ARG A 132 -0.946 -13.508 1.038 1.00 0.00 N ATOM 0 HA ARG A 132 -1.669 -7.308 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -0.184 -8.357 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.092 -7.655 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.376 -8.944 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -1.014 -9.560 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.792 -10.417 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.906 -10.215 0.615 1.00 0.00 H new ATOM 0 HE ARG A 132 0.978 -12.070 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -1.125 -10.980 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -2.178 -12.395 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.380 -13.880 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -1.758 -14.028 0.705 1.00 0.00 H new ATOM 100 N GLU A 133 -0.113 -6.045 2.514 1.00 0.00 N ATOM 101 CA GLU A 133 0.580 -5.127 3.411 1.00 0.00 C ATOM 102 C GLU A 133 2.053 -5.010 3.033 1.00 0.00 C ATOM 103 O GLU A 133 2.619 -5.911 2.414 1.00 0.00 O ATOM 104 CB GLU A 133 0.450 -5.592 4.863 1.00 0.00 C ATOM 105 CG GLU A 133 -0.933 -6.111 5.221 1.00 0.00 C ATOM 106 CD GLU A 133 -0.992 -7.626 5.275 1.00 0.00 C ATOM 107 OE1 GLU A 133 -0.141 -8.228 5.961 1.00 0.00 O ATOM 108 OE2 GLU A 133 -1.889 -8.207 4.630 1.00 0.00 O ATOM 0 H GLU A 133 -0.589 -6.816 2.983 1.00 0.00 H new ATOM 0 HA GLU A 133 0.115 -4.146 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.182 -6.378 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.698 -4.762 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.230 -5.705 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.654 -5.749 4.488 1.00 0.00 H new ATOM 115 N GLY A 134 2.665 -3.893 3.408 1.00 0.00 N ATOM 116 CA GLY A 134 4.064 -3.677 3.097 1.00 0.00 C ATOM 117 C GLY A 134 4.314 -3.471 1.612 1.00 0.00 C ATOM 118 O GLY A 134 5.463 -3.447 1.170 1.00 0.00 O ATOM 0 H GLY A 134 2.217 -3.134 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.423 -2.806 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.644 -4.532 3.443 1.00 0.00 H new ATOM 122 N ASP A 135 3.241 -3.322 0.839 1.00 0.00 N ATOM 123 CA ASP A 135 3.362 -3.117 -0.601 1.00 0.00 C ATOM 124 C ASP A 135 3.682 -1.660 -0.917 1.00 0.00 C ATOM 125 O ASP A 135 3.491 -0.778 -0.081 1.00 0.00 O ATOM 126 CB ASP A 135 2.069 -3.532 -1.305 1.00 0.00 C ATOM 127 CG ASP A 135 2.023 -5.019 -1.601 1.00 0.00 C ATOM 128 OD1 ASP A 135 2.712 -5.786 -0.895 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.296 -5.416 -2.535 1.00 0.00 O ATOM 0 H ASP A 135 2.281 -3.339 1.185 1.00 0.00 H new ATOM 0 HA ASP A 135 4.181 -3.737 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.216 -3.262 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.971 -2.976 -2.237 1.00 0.00 H new ATOM 134 N GLN A 136 4.172 -1.418 -2.129 1.00 0.00 N ATOM 135 CA GLN A 136 4.521 -0.068 -2.556 1.00 0.00 C ATOM 136 C GLN A 136 3.680 0.358 -3.755 1.00 0.00 C ATOM 137 O GLN A 136 3.716 -0.277 -4.809 1.00 0.00 O ATOM 138 CB GLN A 136 6.007 0.012 -2.907 1.00 0.00 C ATOM 139 CG GLN A 136 6.890 0.405 -1.732 1.00 0.00 C ATOM 140 CD GLN A 136 8.214 1.000 -2.171 1.00 0.00 C ATOM 141 OE1 GLN A 136 8.252 1.934 -2.971 1.00 0.00 O ATOM 142 NE2 GLN A 136 9.309 0.461 -1.646 1.00 0.00 N ATOM 0 H GLN A 136 4.336 -2.139 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 136 4.314 0.611 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.334 -0.955 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.143 0.735 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.360 1.126 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.078 -0.473 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.230 -0.313 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.228 0.821 -1.903 1.00 0.00 H new ATOM 151 N VAL A 137 2.923 1.438 -3.586 1.00 0.00 N ATOM 152 CA VAL A 137 2.073 1.953 -4.653 1.00 0.00 C ATOM 153 C VAL A 137 2.342 3.432 -4.899 1.00 0.00 C ATOM 154 O VAL A 137 2.550 4.196 -3.958 1.00 0.00 O ATOM 155 CB VAL A 137 0.581 1.763 -4.318 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.227 0.285 -4.269 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.240 2.445 -3.001 1.00 0.00 C ATOM 0 H VAL A 137 2.881 1.974 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 137 2.312 1.388 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.012 2.227 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.831 0.172 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.432 -0.170 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.826 -0.207 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.818 2.301 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.840 2.012 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.453 3.511 -3.078 1.00 0.00 H new ATOM 167 N ARG A 138 2.338 3.833 -6.169 1.00 0.00 N ATOM 168 CA ARG A 138 2.587 5.227 -6.523 1.00 0.00 C ATOM 169 C ARG A 138 1.334 6.071 -6.321 1.00 0.00 C ATOM 170 O ARG A 138 0.221 5.549 -6.246 1.00 0.00 O ATOM 171 CB ARG A 138 3.068 5.339 -7.974 1.00 0.00 C ATOM 172 CG ARG A 138 4.446 5.975 -8.111 1.00 0.00 C ATOM 173 CD ARG A 138 5.257 5.317 -9.217 1.00 0.00 C ATOM 174 NE ARG A 138 6.622 5.022 -8.791 1.00 0.00 N ATOM 175 CZ ARG A 138 7.493 4.324 -9.520 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.142 3.852 -10.710 1.00 0.00 N ATOM 177 NH2 ARG A 138 8.714 4.101 -9.058 1.00 0.00 N ATOM 0 H ARG A 138 2.166 3.217 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 138 3.369 5.605 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.090 4.344 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.347 5.927 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.337 7.039 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.982 5.891 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.766 4.394 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.282 5.973 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 138 6.927 5.370 -7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.203 4.023 -11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.811 3.318 -11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.988 4.463 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.381 3.567 -9.616 1.00 0.00 H new ATOM 191 N VAL A 139 1.530 7.379 -6.226 1.00 0.00 N ATOM 192 CA VAL A 139 0.429 8.315 -6.019 1.00 0.00 C ATOM 193 C VAL A 139 -0.313 8.611 -7.324 1.00 0.00 C ATOM 194 O VAL A 139 0.270 8.560 -8.409 1.00 0.00 O ATOM 195 CB VAL A 139 0.945 9.632 -5.415 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.207 10.573 -5.104 1.00 0.00 C ATOM 197 CG2 VAL A 139 1.771 9.356 -4.165 1.00 0.00 C ATOM 0 H VAL A 139 2.447 7.820 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.268 7.844 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 139 1.586 10.118 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.183 11.497 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.751 10.798 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.880 10.100 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.129 10.298 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.153 8.845 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.623 8.727 -4.423 1.00 0.00 H new ATOM 207 N VAL A 140 -1.606 8.913 -7.209 1.00 0.00 N ATOM 208 CA VAL A 140 -2.442 9.206 -8.372 1.00 0.00 C ATOM 209 C VAL A 140 -2.486 10.700 -8.701 1.00 0.00 C ATOM 210 O VAL A 140 -2.830 11.084 -9.817 1.00 0.00 O ATOM 211 CB VAL A 140 -3.886 8.726 -8.147 1.00 0.00 C ATOM 212 CG1 VAL A 140 -3.924 7.216 -7.957 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.501 9.443 -6.950 1.00 0.00 C ATOM 0 H VAL A 140 -2.099 8.961 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 140 -1.987 8.673 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.477 8.969 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.954 6.895 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.524 6.727 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.322 6.943 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.523 9.094 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.913 9.231 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.508 10.517 -7.134 1.00 0.00 H new ATOM 223 N SER A 141 -2.156 11.536 -7.724 1.00 0.00 N ATOM 224 CA SER A 141 -2.186 12.983 -7.922 1.00 0.00 C ATOM 225 C SER A 141 -0.949 13.462 -8.672 1.00 0.00 C ATOM 226 O SER A 141 0.104 12.831 -8.620 1.00 0.00 O ATOM 227 CB SER A 141 -2.289 13.698 -6.573 1.00 0.00 C ATOM 228 OG SER A 141 -3.613 14.142 -6.331 1.00 0.00 O ATOM 0 H SER A 141 -1.866 11.241 -6.792 1.00 0.00 H new ATOM 0 HA SER A 141 -3.063 13.223 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.977 13.024 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.608 14.549 -6.556 1.00 0.00 H new ATOM 0 HG SER A 141 -3.653 14.594 -5.462 1.00 0.00 H new ATOM 234 N GLY A 142 -1.092 14.581 -9.379 1.00 0.00 N ATOM 235 CA GLY A 142 0.012 15.132 -10.145 1.00 0.00 C ATOM 236 C GLY A 142 1.172 15.581 -9.273 1.00 0.00 C ATOM 237 O GLY A 142 2.272 15.037 -9.379 1.00 0.00 O ATOM 0 H GLY A 142 -1.958 15.118 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.366 14.383 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.346 15.980 -10.730 1.00 0.00 H new ATOM 241 N PRO A 143 0.960 16.579 -8.398 1.00 0.00 N ATOM 242 CA PRO A 143 2.011 17.092 -7.512 1.00 0.00 C ATOM 243 C PRO A 143 2.686 15.983 -6.710 1.00 0.00 C ATOM 244 O PRO A 143 3.819 16.139 -6.253 1.00 0.00 O ATOM 245 CB PRO A 143 1.269 18.060 -6.578 1.00 0.00 C ATOM 246 CG PRO A 143 -0.185 17.797 -6.794 1.00 0.00 C ATOM 247 CD PRO A 143 -0.310 17.288 -8.201 1.00 0.00 C ATOM 0 HA PRO A 143 2.815 17.566 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.547 17.890 -5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.518 19.096 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.559 17.064 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.771 18.706 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.167 16.625 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.436 18.101 -8.917 1.00 0.00 H new ATOM 255 N PHE A 144 1.987 14.867 -6.541 1.00 0.00 N ATOM 256 CA PHE A 144 2.522 13.734 -5.792 1.00 0.00 C ATOM 257 C PHE A 144 2.774 12.531 -6.700 1.00 0.00 C ATOM 258 O PHE A 144 3.168 11.465 -6.227 1.00 0.00 O ATOM 259 CB PHE A 144 1.550 13.328 -4.681 1.00 0.00 C ATOM 260 CG PHE A 144 0.985 14.482 -3.906 1.00 0.00 C ATOM 261 CD1 PHE A 144 1.818 15.369 -3.245 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.384 14.675 -3.836 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.294 16.429 -2.528 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.914 15.730 -3.123 1.00 0.00 C ATOM 265 CZ PHE A 144 -0.075 16.610 -2.468 1.00 0.00 C ATOM 0 H PHE A 144 1.048 14.721 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 144 3.472 14.048 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.728 12.763 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.064 12.658 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 144 2.888 15.231 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -1.046 13.991 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 144 1.953 17.114 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.984 15.868 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.488 17.438 -1.910 1.00 0.00 H new ATOM 275 N ALA A 145 2.531 12.694 -8.000 1.00 0.00 N ATOM 276 CA ALA A 145 2.714 11.606 -8.959 1.00 0.00 C ATOM 277 C ALA A 145 4.187 11.250 -9.172 1.00 0.00 C ATOM 278 O ALA A 145 4.635 11.091 -10.308 1.00 0.00 O ATOM 279 CB ALA A 145 2.066 11.967 -10.289 1.00 0.00 C ATOM 0 H ALA A 145 2.207 13.569 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 145 2.229 10.725 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.208 11.150 -10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 145 1.000 12.137 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.526 12.873 -10.684 1.00 0.00 H new ATOM 285 N ASP A 146 4.932 11.109 -8.082 1.00 0.00 N ATOM 286 CA ASP A 146 6.342 10.752 -8.168 1.00 0.00 C ATOM 287 C ASP A 146 6.836 10.199 -6.841 1.00 0.00 C ATOM 288 O ASP A 146 7.998 10.372 -6.475 1.00 0.00 O ATOM 289 CB ASP A 146 7.183 11.958 -8.590 1.00 0.00 C ATOM 290 CG ASP A 146 6.817 13.218 -7.827 1.00 0.00 C ATOM 291 OD1 ASP A 146 6.026 13.124 -6.865 1.00 0.00 O ATOM 292 OD2 ASP A 146 7.324 14.301 -8.192 1.00 0.00 O ATOM 0 H ASP A 146 4.584 11.236 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 146 6.450 9.977 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 146 8.238 11.735 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.051 12.133 -9.658 1.00 0.00 H new ATOM 297 N PHE A 147 5.943 9.530 -6.130 1.00 0.00 N ATOM 298 CA PHE A 147 6.276 8.942 -4.841 1.00 0.00 C ATOM 299 C PHE A 147 5.361 7.765 -4.537 1.00 0.00 C ATOM 300 O PHE A 147 4.182 7.774 -4.893 1.00 0.00 O ATOM 301 CB PHE A 147 6.166 9.989 -3.732 1.00 0.00 C ATOM 302 CG PHE A 147 7.038 11.191 -3.952 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.417 11.090 -3.861 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.479 12.424 -4.252 1.00 0.00 C ATOM 305 CE1 PHE A 147 9.223 12.194 -4.063 1.00 0.00 C ATOM 306 CE2 PHE A 147 7.280 13.531 -4.456 1.00 0.00 C ATOM 307 CZ PHE A 147 8.653 13.417 -4.361 1.00 0.00 C ATOM 0 H PHE A 147 4.978 9.380 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 147 7.304 8.583 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.128 10.313 -3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.431 9.528 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.868 10.136 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.406 12.520 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 147 10.296 12.101 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.832 14.486 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 147 9.280 14.282 -4.519 1.00 0.00 H new ATOM 317 N THR A 148 5.907 6.754 -3.876 1.00 0.00 N ATOM 318 CA THR A 148 5.134 5.571 -3.528 1.00 0.00 C ATOM 319 C THR A 148 4.723 5.608 -2.060 1.00 0.00 C ATOM 320 O THR A 148 5.153 6.480 -1.306 1.00 0.00 O ATOM 321 CB THR A 148 5.942 4.304 -3.814 1.00 0.00 C ATOM 322 OG1 THR A 148 7.149 4.299 -3.071 1.00 0.00 O ATOM 323 CG2 THR A 148 6.301 4.140 -5.274 1.00 0.00 C ATOM 0 H THR A 148 6.880 6.729 -3.571 1.00 0.00 H new ATOM 0 HA THR A 148 4.232 5.561 -4.141 1.00 0.00 H new ATOM 0 HB THR A 148 5.295 3.477 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.680 3.512 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.873 3.222 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.389 4.089 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.899 4.991 -5.599 1.00 0.00 H new ATOM 331 N GLY A 149 3.888 4.655 -1.660 1.00 0.00 N ATOM 332 CA GLY A 149 3.432 4.600 -0.284 1.00 0.00 C ATOM 333 C GLY A 149 3.636 3.233 0.340 1.00 0.00 C ATOM 334 O GLY A 149 3.297 2.212 -0.257 1.00 0.00 O ATOM 0 H GLY A 149 3.519 3.920 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.966 5.347 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.374 4.860 -0.244 1.00 0.00 H new ATOM 338 N THR A 150 4.192 3.218 1.548 1.00 0.00 N ATOM 339 CA THR A 150 4.439 1.971 2.262 1.00 0.00 C ATOM 340 C THR A 150 3.302 1.671 3.231 1.00 0.00 C ATOM 341 O THR A 150 3.199 2.289 4.292 1.00 0.00 O ATOM 342 CB THR A 150 5.765 2.045 3.019 1.00 0.00 C ATOM 343 OG1 THR A 150 6.761 2.672 2.230 1.00 0.00 O ATOM 344 CG2 THR A 150 6.295 0.689 3.431 1.00 0.00 C ATOM 0 H THR A 150 4.480 4.056 2.053 1.00 0.00 H new ATOM 0 HA THR A 150 4.494 1.165 1.530 1.00 0.00 H new ATOM 0 HB THR A 150 5.551 2.624 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.601 2.711 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.238 0.813 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.572 0.198 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.457 0.077 2.544 1.00 0.00 H new ATOM 352 N VAL A 151 2.449 0.722 2.861 1.00 0.00 N ATOM 353 CA VAL A 151 1.317 0.343 3.698 1.00 0.00 C ATOM 354 C VAL A 151 1.779 -0.160 5.060 1.00 0.00 C ATOM 355 O VAL A 151 2.426 -1.203 5.162 1.00 0.00 O ATOM 356 CB VAL A 151 0.460 -0.747 3.024 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.799 -1.015 3.834 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.111 -0.346 1.597 1.00 0.00 C ATOM 0 H VAL A 151 2.520 0.201 1.987 1.00 0.00 H new ATOM 0 HA VAL A 151 0.713 1.240 3.833 1.00 0.00 H new ATOM 0 HB VAL A 151 1.041 -1.668 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.391 -1.787 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.524 -1.351 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.386 -0.100 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.494 -1.127 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.450 0.588 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.027 -0.211 1.022 1.00 0.00 H new ATOM 368 N THR A 152 1.439 0.586 6.107 1.00 0.00 N ATOM 369 CA THR A 152 1.813 0.214 7.465 1.00 0.00 C ATOM 370 C THR A 152 0.598 -0.288 8.239 1.00 0.00 C ATOM 371 O THR A 152 0.687 -1.253 8.999 1.00 0.00 O ATOM 372 CB THR A 152 2.437 1.408 8.190 1.00 0.00 C ATOM 373 OG1 THR A 152 1.981 2.628 7.636 1.00 0.00 O ATOM 374 CG2 THR A 152 3.951 1.416 8.134 1.00 0.00 C ATOM 0 H THR A 152 0.905 1.452 6.039 1.00 0.00 H new ATOM 0 HA THR A 152 2.547 -0.590 7.409 1.00 0.00 H new ATOM 0 HB THR A 152 2.127 1.308 9.230 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.391 3.378 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.330 2.288 8.667 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.337 0.510 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.276 1.456 7.094 1.00 0.00 H new ATOM 382 N GLU A 153 -0.536 0.372 8.038 1.00 0.00 N ATOM 383 CA GLU A 153 -1.774 -0.005 8.711 1.00 0.00 C ATOM 384 C GLU A 153 -2.942 -0.008 7.729 1.00 0.00 C ATOM 385 O GLU A 153 -2.924 0.705 6.726 1.00 0.00 O ATOM 386 CB GLU A 153 -2.062 0.956 9.867 1.00 0.00 C ATOM 387 CG GLU A 153 -1.662 0.408 11.227 1.00 0.00 C ATOM 388 CD GLU A 153 -0.208 -0.018 11.278 1.00 0.00 C ATOM 389 OE1 GLU A 153 0.672 0.848 11.083 1.00 0.00 O ATOM 390 OE2 GLU A 153 0.052 -1.217 11.508 1.00 0.00 O ATOM 0 H GLU A 153 -0.624 1.173 7.413 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.655 -1.013 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.532 1.892 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.127 1.190 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.841 1.168 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.296 -0.444 11.472 1.00 0.00 H new ATOM 397 N ILE A 154 -3.956 -0.815 8.025 1.00 0.00 N ATOM 398 CA ILE A 154 -5.130 -0.909 7.166 1.00 0.00 C ATOM 399 C ILE A 154 -6.415 -0.747 7.968 1.00 0.00 C ATOM 400 O ILE A 154 -6.461 -1.064 9.158 1.00 0.00 O ATOM 401 CB ILE A 154 -5.173 -2.254 6.415 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.818 -2.547 5.765 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.279 -2.242 5.372 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.095 -3.724 6.381 1.00 0.00 C ATOM 0 H ILE A 154 -3.988 -1.412 8.851 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.054 -0.099 6.441 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.386 -3.047 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.968 -2.738 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.187 -1.662 5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.297 -3.199 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.239 -2.078 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.095 -1.441 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.143 -3.874 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -2.914 -3.527 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.706 -4.621 6.279 1.00 0.00 H new ATOM 416 N ASN A 155 -7.458 -0.254 7.310 1.00 0.00 N ATOM 417 CA ASN A 155 -8.748 -0.050 7.960 1.00 0.00 C ATOM 418 C ASN A 155 -9.875 -0.663 7.131 1.00 0.00 C ATOM 419 O ASN A 155 -10.585 0.045 6.418 1.00 0.00 O ATOM 420 CB ASN A 155 -9.006 1.443 8.173 1.00 0.00 C ATOM 421 CG ASN A 155 -8.844 1.855 9.623 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.215 1.152 10.415 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.415 3.000 9.980 1.00 0.00 N ATOM 0 H ASN A 155 -7.436 0.012 6.326 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.723 -0.547 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.318 2.020 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.015 1.686 7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.342 3.328 10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -9.927 3.551 9.291 1.00 0.00 H new ATOM 430 N PRO A 156 -10.052 -1.992 7.215 1.00 0.00 N ATOM 431 CA PRO A 156 -11.099 -2.696 6.468 1.00 0.00 C ATOM 432 C PRO A 156 -12.499 -2.364 6.975 1.00 0.00 C ATOM 433 O PRO A 156 -13.474 -2.440 6.227 1.00 0.00 O ATOM 434 CB PRO A 156 -10.780 -4.174 6.712 1.00 0.00 C ATOM 435 CG PRO A 156 -10.035 -4.193 8.000 1.00 0.00 C ATOM 436 CD PRO A 156 -9.249 -2.912 8.043 1.00 0.00 C ATOM 0 HA PRO A 156 -11.104 -2.415 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.690 -4.771 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.180 -4.589 5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.719 -4.259 8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.374 -5.058 8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.138 -2.542 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.245 -3.043 7.640 1.00 0.00 H new ATOM 444 N GLU A 157 -12.590 -1.993 8.247 1.00 0.00 N ATOM 445 CA GLU A 157 -13.872 -1.648 8.852 1.00 0.00 C ATOM 446 C GLU A 157 -14.494 -0.442 8.156 1.00 0.00 C ATOM 447 O GLU A 157 -15.714 -0.351 8.025 1.00 0.00 O ATOM 448 CB GLU A 157 -13.695 -1.358 10.343 1.00 0.00 C ATOM 449 CG GLU A 157 -14.810 -1.921 11.209 1.00 0.00 C ATOM 450 CD GLU A 157 -14.301 -2.482 12.522 1.00 0.00 C ATOM 451 OE1 GLU A 157 -13.140 -2.940 12.561 1.00 0.00 O ATOM 452 OE2 GLU A 157 -15.064 -2.464 13.510 1.00 0.00 O ATOM 0 H GLU A 157 -11.793 -1.923 8.879 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.543 -2.499 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.744 -1.773 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.641 -0.279 10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.539 -1.137 11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -15.330 -2.706 10.660 1.00 0.00 H new ATOM 459 N ARG A 158 -13.647 0.482 7.714 1.00 0.00 N ATOM 460 CA ARG A 158 -14.115 1.682 7.032 1.00 0.00 C ATOM 461 C ARG A 158 -13.786 1.626 5.544 1.00 0.00 C ATOM 462 O ARG A 158 -14.619 1.962 4.701 1.00 0.00 O ATOM 463 CB ARG A 158 -13.486 2.929 7.661 1.00 0.00 C ATOM 464 CG ARG A 158 -14.257 3.462 8.856 1.00 0.00 C ATOM 465 CD ARG A 158 -13.322 3.944 9.954 1.00 0.00 C ATOM 466 NE ARG A 158 -13.961 3.921 11.268 1.00 0.00 N ATOM 467 CZ ARG A 158 -13.294 4.009 12.417 1.00 0.00 C ATOM 468 NH1 ARG A 158 -11.973 4.129 12.419 1.00 0.00 N ATOM 469 NH2 ARG A 158 -13.952 3.980 13.568 1.00 0.00 N ATOM 0 H ARG A 158 -12.634 0.422 7.816 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.198 1.735 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.468 2.695 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.417 3.711 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.900 4.283 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -14.908 2.680 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -12.431 3.316 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -12.992 4.958 9.729 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.976 3.832 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -11.462 4.154 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -11.468 4.196 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -14.968 3.890 13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -13.442 4.047 14.449 1.00 0.00 H new ATOM 483 N GLY A 159 -12.569 1.198 5.228 1.00 0.00 N ATOM 484 CA GLY A 159 -12.152 1.104 3.840 1.00 0.00 C ATOM 485 C GLY A 159 -11.060 2.096 3.494 1.00 0.00 C ATOM 486 O GLY A 159 -11.147 2.803 2.490 1.00 0.00 O ATOM 0 H GLY A 159 -11.863 0.914 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.798 0.093 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.012 1.275 3.193 1.00 0.00 H new ATOM 490 N LYS A 160 -10.026 2.151 4.328 1.00 0.00 N ATOM 491 CA LYS A 160 -8.911 3.063 4.106 1.00 0.00 C ATOM 492 C LYS A 160 -7.578 2.373 4.378 1.00 0.00 C ATOM 493 O LYS A 160 -7.540 1.211 4.784 1.00 0.00 O ATOM 494 CB LYS A 160 -9.053 4.300 4.997 1.00 0.00 C ATOM 495 CG LYS A 160 -9.447 5.557 4.234 1.00 0.00 C ATOM 496 CD LYS A 160 -10.779 6.110 4.714 1.00 0.00 C ATOM 497 CE LYS A 160 -10.932 7.579 4.358 1.00 0.00 C ATOM 498 NZ LYS A 160 -10.184 8.460 5.297 1.00 0.00 N ATOM 0 H LYS A 160 -9.938 1.574 5.164 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.929 3.372 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.801 4.101 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.108 4.478 5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -8.673 6.315 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -9.508 5.332 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -11.593 5.539 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.858 5.986 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -10.574 7.745 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.988 7.848 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -10.314 9.454 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -10.542 8.321 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -9.172 8.222 5.265 1.00 0.00 H new ATOM 512 N VAL A 161 -6.486 3.096 4.152 1.00 0.00 N ATOM 513 CA VAL A 161 -5.151 2.554 4.372 1.00 0.00 C ATOM 514 C VAL A 161 -4.163 3.664 4.716 1.00 0.00 C ATOM 515 O VAL A 161 -4.401 4.839 4.432 1.00 0.00 O ATOM 516 CB VAL A 161 -4.649 1.768 3.137 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.013 2.494 1.851 1.00 0.00 C ATOM 518 CG2 VAL A 161 -3.148 1.510 3.202 1.00 0.00 C ATOM 0 H VAL A 161 -6.500 4.059 3.816 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.216 1.865 5.214 1.00 0.00 H new ATOM 0 HB VAL A 161 -5.149 0.799 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.650 1.924 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -6.096 2.597 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.554 3.483 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -2.835 0.956 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.617 2.461 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -2.917 0.928 4.094 1.00 0.00 H new ATOM 528 N LYS A 162 -3.056 3.275 5.332 1.00 0.00 N ATOM 529 CA LYS A 162 -2.020 4.224 5.723 1.00 0.00 C ATOM 530 C LYS A 162 -0.698 3.898 5.037 1.00 0.00 C ATOM 531 O LYS A 162 -0.188 2.783 5.151 1.00 0.00 O ATOM 532 CB LYS A 162 -1.837 4.212 7.240 1.00 0.00 C ATOM 533 CG LYS A 162 -0.824 5.231 7.737 1.00 0.00 C ATOM 534 CD LYS A 162 -0.404 4.947 9.171 1.00 0.00 C ATOM 535 CE LYS A 162 -0.255 6.229 9.974 1.00 0.00 C ATOM 536 NZ LYS A 162 1.169 6.518 10.301 1.00 0.00 N ATOM 0 H LYS A 162 -2.850 2.305 5.573 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.335 5.219 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -2.799 4.406 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.522 3.216 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 162 0.054 5.218 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.252 6.231 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.143 4.303 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.541 4.403 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -0.674 7.062 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -0.830 6.148 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 1.244 7.470 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 1.517 5.816 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 1.741 6.470 9.434 1.00 0.00 H new ATOM 550 N VAL A 163 -0.148 4.877 4.327 1.00 0.00 N ATOM 551 CA VAL A 163 1.114 4.690 3.623 1.00 0.00 C ATOM 552 C VAL A 163 2.035 5.892 3.810 1.00 0.00 C ATOM 553 O VAL A 163 1.575 7.030 3.910 1.00 0.00 O ATOM 554 CB VAL A 163 0.888 4.464 2.117 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.140 3.162 1.878 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.137 5.639 1.508 1.00 0.00 C ATOM 0 H VAL A 163 -0.556 5.806 4.224 1.00 0.00 H new ATOM 0 HA VAL A 163 1.585 3.805 4.051 1.00 0.00 H new ATOM 0 HB VAL A 163 1.860 4.391 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.010 3.020 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.721 2.330 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.828 3.201 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.014 5.462 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.830 5.746 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.717 6.552 1.645 1.00 0.00 H new ATOM 566 N MET A 164 3.338 5.631 3.859 1.00 0.00 N ATOM 567 CA MET A 164 4.323 6.692 4.034 1.00 0.00 C ATOM 568 C MET A 164 4.824 7.197 2.684 1.00 0.00 C ATOM 569 O MET A 164 5.211 6.410 1.821 1.00 0.00 O ATOM 570 CB MET A 164 5.500 6.192 4.879 1.00 0.00 C ATOM 571 CG MET A 164 6.391 5.193 4.158 1.00 0.00 C ATOM 572 SD MET A 164 7.331 4.157 5.295 1.00 0.00 S ATOM 573 CE MET A 164 8.828 5.122 5.477 1.00 0.00 C ATOM 0 H MET A 164 3.735 4.695 3.780 1.00 0.00 H new ATOM 0 HA MET A 164 3.841 7.520 4.553 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.103 7.046 5.187 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.113 5.730 5.787 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.777 4.559 3.518 1.00 0.00 H new ATOM 0 HG3 MET A 164 7.081 5.730 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.696 4.475 5.350 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.848 5.908 4.722 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.853 5.571 6.470 1.00 0.00 H new ATOM 583 N VAL A 165 4.814 8.514 2.510 1.00 0.00 N ATOM 584 CA VAL A 165 5.270 9.123 1.266 1.00 0.00 C ATOM 585 C VAL A 165 6.241 10.266 1.536 1.00 0.00 C ATOM 586 O VAL A 165 6.098 10.998 2.516 1.00 0.00 O ATOM 587 CB VAL A 165 4.087 9.656 0.434 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.189 8.512 -0.012 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.296 10.686 1.226 1.00 0.00 C ATOM 0 H VAL A 165 4.495 9.180 3.214 1.00 0.00 H new ATOM 0 HA VAL A 165 5.780 8.342 0.701 1.00 0.00 H new ATOM 0 HB VAL A 165 4.485 10.144 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.359 8.908 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.764 7.815 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.799 7.993 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.465 11.050 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.909 10.227 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.946 11.520 1.489 1.00 0.00 H new ATOM 599 N THR A 166 7.231 10.413 0.661 1.00 0.00 N ATOM 600 CA THR A 166 8.229 11.467 0.804 1.00 0.00 C ATOM 601 C THR A 166 8.031 12.551 -0.250 1.00 0.00 C ATOM 602 O THR A 166 7.738 12.257 -1.409 1.00 0.00 O ATOM 603 CB THR A 166 9.638 10.881 0.692 1.00 0.00 C ATOM 604 OG1 THR A 166 9.666 9.548 1.169 1.00 0.00 O ATOM 605 CG2 THR A 166 10.677 11.667 1.463 1.00 0.00 C ATOM 0 H THR A 166 7.363 9.815 -0.155 1.00 0.00 H new ATOM 0 HA THR A 166 8.107 11.918 1.789 1.00 0.00 H new ATOM 0 HB THR A 166 9.886 10.926 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.122 9.520 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.653 11.197 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.716 12.688 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.411 11.682 2.520 1.00 0.00 H new ATOM 613 N ILE A 167 8.191 13.806 0.159 1.00 0.00 N ATOM 614 CA ILE A 167 8.030 14.932 -0.752 1.00 0.00 C ATOM 615 C ILE A 167 9.138 15.960 -0.558 1.00 0.00 C ATOM 616 O ILE A 167 9.974 16.163 -1.440 1.00 0.00 O ATOM 617 CB ILE A 167 6.666 15.624 -0.558 1.00 0.00 C ATOM 618 CG1 ILE A 167 5.540 14.588 -0.558 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.439 16.661 -1.650 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.138 14.136 0.829 1.00 0.00 C ATOM 0 H ILE A 167 8.432 14.068 1.115 1.00 0.00 H new ATOM 0 HA ILE A 167 8.084 14.528 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 167 6.666 16.133 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 167 4.669 15.009 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.855 13.720 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.472 17.141 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.228 17.412 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.454 16.173 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.336 13.402 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 167 5.996 13.686 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 167 4.792 14.994 1.405 1.00 0.00 H new ATOM 632 N PHE A 168 9.143 16.609 0.602 1.00 0.00 N ATOM 633 CA PHE A 168 10.148 17.618 0.912 1.00 0.00 C ATOM 634 C PHE A 168 11.348 16.993 1.621 1.00 0.00 C ATOM 635 O PHE A 168 11.725 17.413 2.714 1.00 0.00 O ATOM 636 CB PHE A 168 9.544 18.722 1.780 1.00 0.00 C ATOM 637 CG PHE A 168 8.879 19.812 0.987 1.00 0.00 C ATOM 638 CD1 PHE A 168 7.654 19.595 0.376 1.00 0.00 C ATOM 639 CD2 PHE A 168 9.481 21.053 0.852 1.00 0.00 C ATOM 640 CE1 PHE A 168 7.041 20.596 -0.354 1.00 0.00 C ATOM 641 CE2 PHE A 168 8.872 22.058 0.124 1.00 0.00 C ATOM 642 CZ PHE A 168 7.651 21.828 -0.480 1.00 0.00 C ATOM 0 H PHE A 168 8.461 16.453 1.344 1.00 0.00 H new ATOM 0 HA PHE A 168 10.491 18.053 -0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 168 8.814 18.281 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 168 10.330 19.159 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 168 7.173 18.633 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 168 10.436 21.237 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 168 6.086 20.415 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 168 9.350 23.022 0.028 1.00 0.00 H new ATOM 0 HZ PHE A 168 7.174 22.611 -1.050 1.00 0.00 H new ATOM 652 N GLY A 169 11.943 15.986 0.988 1.00 0.00 N ATOM 653 CA GLY A 169 13.093 15.320 1.571 1.00 0.00 C ATOM 654 C GLY A 169 12.795 14.735 2.937 1.00 0.00 C ATOM 655 O GLY A 169 13.692 14.600 3.771 1.00 0.00 O ATOM 0 H GLY A 169 11.649 15.620 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.425 14.525 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.916 16.030 1.655 1.00 0.00 H new ATOM 659 N ARG A 170 11.534 14.389 3.170 1.00 0.00 N ATOM 660 CA ARG A 170 11.120 13.817 4.446 1.00 0.00 C ATOM 661 C ARG A 170 9.880 12.946 4.276 1.00 0.00 C ATOM 662 O ARG A 170 9.065 13.175 3.382 1.00 0.00 O ATOM 663 CB ARG A 170 10.848 14.930 5.463 1.00 0.00 C ATOM 664 CG ARG A 170 11.858 14.977 6.597 1.00 0.00 C ATOM 665 CD ARG A 170 11.516 13.976 7.689 1.00 0.00 C ATOM 666 NE ARG A 170 12.640 13.752 8.597 1.00 0.00 N ATOM 667 CZ ARG A 170 12.974 14.581 9.582 1.00 0.00 C ATOM 668 NH1 ARG A 170 12.276 15.692 9.790 1.00 0.00 N ATOM 669 NH2 ARG A 170 14.010 14.302 10.360 1.00 0.00 N ATOM 0 H ARG A 170 10.780 14.495 2.491 1.00 0.00 H new ATOM 0 HA ARG A 170 11.931 13.189 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.848 15.890 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.851 14.793 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.854 14.766 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.887 15.982 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.658 14.337 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 170 11.223 13.030 7.235 1.00 0.00 H new ATOM 0 HE ARG A 170 13.201 12.910 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.479 15.913 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 170 12.537 16.324 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 170 14.551 13.452 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 170 14.266 14.938 11.115 1.00 0.00 H new ATOM 683 N GLU A 171 9.744 11.946 5.141 1.00 0.00 N ATOM 684 CA GLU A 171 8.602 11.040 5.087 1.00 0.00 C ATOM 685 C GLU A 171 7.320 11.759 5.495 1.00 0.00 C ATOM 686 O GLU A 171 7.362 12.812 6.132 1.00 0.00 O ATOM 687 CB GLU A 171 8.840 9.832 5.997 1.00 0.00 C ATOM 688 CG GLU A 171 9.149 8.552 5.238 1.00 0.00 C ATOM 689 CD GLU A 171 10.531 8.563 4.616 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.467 9.089 5.254 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.679 8.047 3.488 1.00 0.00 O ATOM 0 H GLU A 171 10.409 11.743 5.887 1.00 0.00 H new ATOM 0 HA GLU A 171 8.490 10.693 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.667 10.053 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 171 7.957 9.674 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.067 7.703 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 171 8.404 8.409 4.456 1.00 0.00 H new ATOM 698 N THR A 172 6.181 11.183 5.123 1.00 0.00 N ATOM 699 CA THR A 172 4.886 11.769 5.448 1.00 0.00 C ATOM 700 C THR A 172 3.804 10.693 5.519 1.00 0.00 C ATOM 701 O THR A 172 3.244 10.300 4.496 1.00 0.00 O ATOM 702 CB THR A 172 4.505 12.820 4.404 1.00 0.00 C ATOM 703 OG1 THR A 172 5.584 13.709 4.172 1.00 0.00 O ATOM 704 CG2 THR A 172 3.303 13.650 4.800 1.00 0.00 C ATOM 0 H THR A 172 6.129 10.311 4.596 1.00 0.00 H new ATOM 0 HA THR A 172 4.965 12.246 6.425 1.00 0.00 H new ATOM 0 HB THR A 172 4.256 12.257 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.229 13.289 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.087 14.375 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.440 12.998 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.514 14.175 5.731 1.00 0.00 H new ATOM 712 N PRO A 173 3.492 10.199 6.730 1.00 0.00 N ATOM 713 CA PRO A 173 2.468 9.165 6.917 1.00 0.00 C ATOM 714 C PRO A 173 1.070 9.674 6.584 1.00 0.00 C ATOM 715 O PRO A 173 0.319 10.082 7.469 1.00 0.00 O ATOM 716 CB PRO A 173 2.572 8.816 8.404 1.00 0.00 C ATOM 717 CG PRO A 173 3.181 10.018 9.039 1.00 0.00 C ATOM 718 CD PRO A 173 4.104 10.607 8.009 1.00 0.00 C ATOM 0 HA PRO A 173 2.627 8.311 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.592 8.599 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.189 7.931 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.414 10.735 9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.727 9.748 9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.165 11.692 8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.118 10.221 8.111 1.00 0.00 H new ATOM 726 N VAL A 174 0.729 9.648 5.299 1.00 0.00 N ATOM 727 CA VAL A 174 -0.577 10.108 4.845 1.00 0.00 C ATOM 728 C VAL A 174 -1.477 8.930 4.488 1.00 0.00 C ATOM 729 O VAL A 174 -1.048 7.984 3.828 1.00 0.00 O ATOM 730 CB VAL A 174 -0.449 11.033 3.619 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.800 11.632 3.253 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.573 12.127 3.880 1.00 0.00 C ATOM 0 H VAL A 174 1.340 9.313 4.554 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.023 10.667 5.668 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.103 10.437 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.687 12.282 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.501 10.831 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.180 12.212 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.650 12.770 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.260 12.720 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.544 11.676 4.085 1.00 0.00 H new ATOM 742 N GLU A 175 -2.731 8.994 4.927 1.00 0.00 N ATOM 743 CA GLU A 175 -3.689 7.930 4.650 1.00 0.00 C ATOM 744 C GLU A 175 -4.248 8.066 3.238 1.00 0.00 C ATOM 745 O GLU A 175 -4.431 9.174 2.737 1.00 0.00 O ATOM 746 CB GLU A 175 -4.829 7.959 5.670 1.00 0.00 C ATOM 747 CG GLU A 175 -5.653 9.234 5.626 1.00 0.00 C ATOM 748 CD GLU A 175 -6.430 9.472 6.907 1.00 0.00 C ATOM 749 OE1 GLU A 175 -5.873 10.105 7.829 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.591 9.022 6.989 1.00 0.00 O ATOM 0 H GLU A 175 -3.106 9.769 5.474 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.170 6.975 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.485 7.106 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.413 7.840 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.993 10.082 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.348 9.184 4.788 1.00 0.00 H new ATOM 757 N LEU A 176 -4.509 6.931 2.598 1.00 0.00 N ATOM 758 CA LEU A 176 -5.037 6.926 1.240 1.00 0.00 C ATOM 759 C LEU A 176 -5.979 5.760 1.017 1.00 0.00 C ATOM 760 O LEU A 176 -6.349 5.048 1.951 1.00 0.00 O ATOM 761 CB LEU A 176 -3.900 6.815 0.225 1.00 0.00 C ATOM 762 CG LEU A 176 -3.508 8.123 -0.469 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.510 7.853 -1.584 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.739 8.833 -1.015 1.00 0.00 C ATOM 0 H LEU A 176 -4.363 6.004 2.998 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.578 7.862 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.022 6.415 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.186 6.091 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 176 -3.037 8.774 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -2.241 8.792 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.615 7.391 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.957 7.182 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.438 9.760 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.241 8.188 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.421 9.060 -0.196 1.00 0.00 H new ATOM 776 N ASP A 177 -6.329 5.553 -0.246 1.00 0.00 N ATOM 777 CA ASP A 177 -7.189 4.457 -0.620 1.00 0.00 C ATOM 778 C ASP A 177 -6.711 3.832 -1.924 1.00 0.00 C ATOM 779 O ASP A 177 -6.069 4.487 -2.741 1.00 0.00 O ATOM 780 CB ASP A 177 -8.645 4.912 -0.750 1.00 0.00 C ATOM 781 CG ASP A 177 -9.042 5.921 0.310 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.375 6.971 0.412 1.00 0.00 O ATOM 783 OD2 ASP A 177 -10.024 5.660 1.037 1.00 0.00 O ATOM 0 H ASP A 177 -6.025 6.137 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.142 3.708 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.798 5.349 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.300 4.043 -0.682 1.00 0.00 H new ATOM 788 N PHE A 178 -7.024 2.556 -2.102 1.00 0.00 N ATOM 789 CA PHE A 178 -6.625 1.821 -3.301 1.00 0.00 C ATOM 790 C PHE A 178 -6.995 2.587 -4.569 1.00 0.00 C ATOM 791 O PHE A 178 -6.301 2.501 -5.582 1.00 0.00 O ATOM 792 CB PHE A 178 -7.285 0.441 -3.320 1.00 0.00 C ATOM 793 CG PHE A 178 -7.200 -0.286 -2.008 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.992 -0.392 -1.337 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.328 -0.863 -1.447 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.911 -1.060 -0.131 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.253 -1.531 -0.240 1.00 0.00 C ATOM 798 CZ PHE A 178 -7.043 -1.631 0.419 1.00 0.00 C ATOM 0 H PHE A 178 -7.556 2.003 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.542 1.704 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.333 0.553 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -6.815 -0.166 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.104 0.053 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.276 -0.790 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.964 -1.136 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -9.140 -1.975 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.982 -2.154 1.362 1.00 0.00 H new ATOM 808 N SER A 179 -8.090 3.338 -4.506 1.00 0.00 N ATOM 809 CA SER A 179 -8.551 4.118 -5.651 1.00 0.00 C ATOM 810 C SER A 179 -7.760 5.420 -5.794 1.00 0.00 C ATOM 811 O SER A 179 -7.997 6.198 -6.718 1.00 0.00 O ATOM 812 CB SER A 179 -10.041 4.429 -5.513 1.00 0.00 C ATOM 813 OG SER A 179 -10.394 4.646 -4.158 1.00 0.00 O ATOM 0 H SER A 179 -8.675 3.423 -3.675 1.00 0.00 H new ATOM 0 HA SER A 179 -8.388 3.521 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.287 5.312 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.627 3.603 -5.917 1.00 0.00 H new ATOM 0 HG SER A 179 -11.352 4.845 -4.097 1.00 0.00 H new ATOM 819 N GLN A 180 -6.824 5.655 -4.878 1.00 0.00 N ATOM 820 CA GLN A 180 -6.007 6.863 -4.909 1.00 0.00 C ATOM 821 C GLN A 180 -4.530 6.535 -5.135 1.00 0.00 C ATOM 822 O GLN A 180 -3.679 7.429 -5.138 1.00 0.00 O ATOM 823 CB GLN A 180 -6.173 7.642 -3.602 1.00 0.00 C ATOM 824 CG GLN A 180 -7.218 8.743 -3.679 1.00 0.00 C ATOM 825 CD GLN A 180 -6.607 10.130 -3.677 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.233 10.654 -2.628 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.502 10.733 -4.855 1.00 0.00 N ATOM 0 H GLN A 180 -6.613 5.024 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.348 7.475 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.446 6.948 -2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.214 8.081 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.811 8.613 -4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.901 8.650 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.825 10.262 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.098 11.668 -4.915 1.00 0.00 H new ATOM 836 N VAL A 181 -4.226 5.253 -5.327 1.00 0.00 N ATOM 837 CA VAL A 181 -2.851 4.821 -5.552 1.00 0.00 C ATOM 838 C VAL A 181 -2.787 3.724 -6.609 1.00 0.00 C ATOM 839 O VAL A 181 -3.807 3.147 -6.984 1.00 0.00 O ATOM 840 CB VAL A 181 -2.208 4.303 -4.253 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.853 5.461 -3.333 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.135 3.322 -3.552 1.00 0.00 C ATOM 0 H VAL A 181 -4.912 4.498 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.297 5.692 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.288 3.778 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.400 5.075 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.148 6.123 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.757 6.017 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.663 2.967 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.074 3.819 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.334 2.476 -4.210 1.00 0.00 H new ATOM 852 N VAL A 182 -1.578 3.444 -7.086 1.00 0.00 N ATOM 853 CA VAL A 182 -1.378 2.415 -8.101 1.00 0.00 C ATOM 854 C VAL A 182 -0.188 1.527 -7.756 1.00 0.00 C ATOM 855 O VAL A 182 0.795 1.988 -7.175 1.00 0.00 O ATOM 856 CB VAL A 182 -1.152 3.034 -9.493 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.402 3.760 -9.965 1.00 0.00 C ATOM 858 CG2 VAL A 182 0.043 3.974 -9.471 1.00 0.00 C ATOM 0 H VAL A 182 -0.724 3.914 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.286 1.812 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.940 2.230 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.223 4.191 -10.950 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.232 3.056 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.649 4.555 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.188 4.402 -10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.137 4.774 -8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.936 3.420 -9.181 1.00 0.00 H new ATOM 868 N LYS A 183 -0.283 0.251 -8.117 1.00 0.00 N ATOM 869 CA LYS A 183 0.787 -0.702 -7.845 1.00 0.00 C ATOM 870 C LYS A 183 2.085 -0.271 -8.523 1.00 0.00 C ATOM 871 O LYS A 183 2.076 0.193 -9.663 1.00 0.00 O ATOM 872 CB LYS A 183 0.388 -2.099 -8.323 1.00 0.00 C ATOM 873 CG LYS A 183 1.028 -3.221 -7.522 1.00 0.00 C ATOM 874 CD LYS A 183 1.260 -4.456 -8.380 1.00 0.00 C ATOM 875 CE LYS A 183 0.204 -5.519 -8.126 1.00 0.00 C ATOM 876 NZ LYS A 183 -1.173 -4.953 -8.156 1.00 0.00 N ATOM 0 H LYS A 183 -1.090 -0.147 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 183 0.952 -0.728 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.696 -2.197 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.665 -2.208 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.977 -2.879 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.388 -3.478 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.249 -4.176 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 183 2.248 -4.866 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 183 0.290 -6.303 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 183 0.384 -5.985 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -1.853 -5.706 -8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.403 -4.551 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -1.226 -4.206 -8.878 1.00 0.00 H new ATOM 890 N ALA A 184 3.198 -0.429 -7.814 1.00 0.00 N ATOM 891 CA ALA A 184 4.503 -0.057 -8.346 1.00 0.00 C ATOM 892 C ALA A 184 5.513 -1.183 -8.157 1.00 0.00 C ATOM 893 O ALA A 184 5.272 -2.055 -7.296 1.00 0.00 O ATOM 894 CB ALA A 184 4.999 1.218 -7.681 1.00 0.00 C ATOM 895 OXT ALA A 184 6.537 -1.184 -8.873 1.00 0.00 O ATOM 0 H ALA A 184 3.222 -0.812 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 184 4.395 0.123 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.975 1.485 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.293 2.026 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.085 1.058 -6.606 1.00 0.00 H new