USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot -172:sc= 0.0509 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -107:sc= 1.31 (180deg=0.18) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.161 3.055 -4.927 1.00 0.00 N ATOM 82 CA ILE A 130 -6.000 3.181 -3.745 1.00 0.00 C ATOM 83 C ILE A 130 -5.205 2.843 -2.492 1.00 0.00 C ATOM 84 O ILE A 130 -4.812 1.697 -2.281 1.00 0.00 O ATOM 85 CB ILE A 130 -7.238 2.272 -3.832 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.981 2.532 -5.137 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.160 2.505 -2.643 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.553 1.627 -6.272 1.00 0.00 C ATOM 0 HA ILE A 130 -6.338 4.216 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.910 1.233 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.050 2.406 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.825 3.569 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.029 1.853 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.625 2.285 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.486 3.545 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.125 1.871 -7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.491 1.769 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.735 0.588 -5.997 1.00 0.00 H new ATOM 100 N ALA A 131 -4.965 3.856 -1.671 1.00 0.00 N ATOM 101 CA ALA A 131 -4.206 3.676 -0.438 1.00 0.00 C ATOM 102 C ALA A 131 -4.343 4.885 0.478 1.00 0.00 C ATOM 103 O ALA A 131 -4.568 6.004 0.017 1.00 0.00 O ATOM 104 CB ALA A 131 -2.741 3.423 -0.757 1.00 0.00 C ATOM 0 H ALA A 131 -5.284 4.811 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.613 2.811 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.184 3.290 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.651 2.523 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.336 4.274 -1.305 1.00 0.00 H new ATOM 110 N MET A 132 -4.202 4.653 1.778 1.00 0.00 N ATOM 111 CA MET A 132 -4.305 5.723 2.762 1.00 0.00 C ATOM 112 C MET A 132 -3.255 6.802 2.500 1.00 0.00 C ATOM 113 O MET A 132 -2.189 6.520 1.953 1.00 0.00 O ATOM 114 CB MET A 132 -4.139 5.160 4.175 1.00 0.00 C ATOM 115 CG MET A 132 -5.449 5.028 4.934 1.00 0.00 C ATOM 116 SD MET A 132 -5.515 6.073 6.403 1.00 0.00 S ATOM 117 CE MET A 132 -5.793 4.848 7.680 1.00 0.00 C ATOM 0 H MET A 132 -4.016 3.732 2.175 1.00 0.00 H new ATOM 0 HA MET A 132 -5.293 6.175 2.674 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.664 4.181 4.114 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.466 5.806 4.738 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.275 5.288 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.590 3.988 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.857 5.341 8.650 1.00 0.00 H new ATOM 0 HE2 MET A 132 -6.725 4.319 7.480 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.967 4.137 7.688 1.00 0.00 H new ATOM 127 N PRO A 133 -3.546 8.054 2.888 1.00 0.00 N ATOM 128 CA PRO A 133 -2.620 9.175 2.691 1.00 0.00 C ATOM 129 C PRO A 133 -1.229 8.885 3.243 1.00 0.00 C ATOM 130 O PRO A 133 -0.235 9.432 2.767 1.00 0.00 O ATOM 131 CB PRO A 133 -3.275 10.318 3.469 1.00 0.00 C ATOM 132 CG PRO A 133 -4.724 9.977 3.497 1.00 0.00 C ATOM 133 CD PRO A 133 -4.795 8.476 3.547 1.00 0.00 C ATOM 0 HA PRO A 133 -2.466 9.393 1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.867 10.395 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.104 11.278 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.212 10.420 4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.233 10.363 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.852 8.110 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.673 8.097 3.024 1.00 0.00 H new ATOM 141 N SER A 134 -1.165 8.026 4.256 1.00 0.00 N ATOM 142 CA SER A 134 0.105 7.668 4.876 1.00 0.00 C ATOM 143 C SER A 134 0.724 6.446 4.208 1.00 0.00 C ATOM 144 O SER A 134 1.946 6.292 4.186 1.00 0.00 O ATOM 145 CB SER A 134 -0.091 7.400 6.370 1.00 0.00 C ATOM 146 OG SER A 134 -1.113 8.223 6.906 1.00 0.00 O ATOM 0 H SER A 134 -1.978 7.565 4.664 1.00 0.00 H new ATOM 0 HA SER A 134 0.787 8.509 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.346 6.351 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.843 7.582 6.901 1.00 0.00 H new ATOM 0 HG SER A 134 -1.220 8.031 7.861 1.00 0.00 H new ATOM 152 N VAL A 135 -0.122 5.572 3.669 1.00 0.00 N ATOM 153 CA VAL A 135 0.354 4.362 3.009 1.00 0.00 C ATOM 154 C VAL A 135 1.094 4.683 1.725 1.00 0.00 C ATOM 155 O VAL A 135 2.191 4.182 1.489 1.00 0.00 O ATOM 156 CB VAL A 135 -0.797 3.398 2.687 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.276 2.172 1.947 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.518 3.003 3.962 1.00 0.00 C ATOM 0 H VAL A 135 -1.136 5.679 3.677 1.00 0.00 H new ATOM 0 HA VAL A 135 1.037 3.882 3.710 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.509 3.903 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.106 1.500 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.196 2.483 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.455 1.655 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.332 2.319 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.819 2.511 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.922 3.894 4.443 1.00 0.00 H new ATOM 168 N ARG A 136 0.493 5.520 0.895 1.00 0.00 N ATOM 169 CA ARG A 136 1.112 5.897 -0.367 1.00 0.00 C ATOM 170 C ARG A 136 2.509 6.448 -0.110 1.00 0.00 C ATOM 171 O ARG A 136 3.405 6.313 -0.942 1.00 0.00 O ATOM 172 CB ARG A 136 0.258 6.940 -1.093 1.00 0.00 C ATOM 173 CG ARG A 136 -0.539 6.370 -2.255 1.00 0.00 C ATOM 174 CD ARG A 136 -1.695 7.280 -2.640 1.00 0.00 C ATOM 175 NE ARG A 136 -1.867 7.364 -4.088 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.934 7.899 -4.679 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.924 8.399 -3.949 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.011 7.935 -6.001 1.00 0.00 N ATOM 0 H ARG A 136 -0.416 5.949 1.069 1.00 0.00 H new ATOM 0 HA ARG A 136 1.187 5.013 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.430 7.395 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.906 7.735 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.117 6.231 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.924 5.386 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.614 6.909 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.521 8.278 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.126 6.991 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.870 8.375 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.739 8.808 -4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.253 7.553 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.828 8.345 -6.453 1.00 0.00 H new ATOM 192 N LYS A 137 2.687 7.044 1.064 1.00 0.00 N ATOM 193 CA LYS A 137 3.974 7.592 1.458 1.00 0.00 C ATOM 194 C LYS A 137 4.901 6.472 1.903 1.00 0.00 C ATOM 195 O LYS A 137 6.097 6.480 1.607 1.00 0.00 O ATOM 196 CB LYS A 137 3.797 8.610 2.586 1.00 0.00 C ATOM 197 CG LYS A 137 5.105 9.212 3.076 1.00 0.00 C ATOM 198 CD LYS A 137 5.189 9.205 4.594 1.00 0.00 C ATOM 199 CE LYS A 137 5.921 10.429 5.118 1.00 0.00 C ATOM 200 NZ LYS A 137 7.336 10.123 5.468 1.00 0.00 N ATOM 0 H LYS A 137 1.951 7.159 1.760 1.00 0.00 H new ATOM 0 HA LYS A 137 4.417 8.099 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.145 9.412 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.293 8.127 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.943 8.651 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.195 10.235 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.184 9.173 5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.702 8.303 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.896 11.217 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.404 10.812 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.800 10.984 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.361 9.389 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.837 9.782 4.623 1.00 0.00 H new ATOM 214 N TYR A 138 4.335 5.510 2.626 1.00 0.00 N ATOM 215 CA TYR A 138 5.104 4.383 3.127 1.00 0.00 C ATOM 216 C TYR A 138 5.600 3.507 1.983 1.00 0.00 C ATOM 217 O TYR A 138 6.780 3.172 1.919 1.00 0.00 O ATOM 218 CB TYR A 138 4.247 3.556 4.076 1.00 0.00 C ATOM 219 CG TYR A 138 4.947 2.314 4.569 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.107 2.400 5.325 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.453 1.056 4.262 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.756 1.264 5.764 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.095 -0.083 4.694 1.00 0.00 C ATOM 224 CZ TYR A 138 6.246 0.023 5.446 1.00 0.00 C ATOM 225 OH TYR A 138 6.889 -1.114 5.877 1.00 0.00 O ATOM 0 H TYR A 138 3.346 5.491 2.876 1.00 0.00 H new ATOM 0 HA TYR A 138 5.971 4.771 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.964 4.171 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.325 3.270 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.508 3.371 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.551 0.968 3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.658 1.346 6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.698 -1.056 4.445 1.00 0.00 H new ATOM 0 HH TYR A 138 6.470 -1.901 5.470 1.00 0.00 H new ATOM 235 N ALA A 139 4.704 3.168 1.063 1.00 0.00 N ATOM 236 CA ALA A 139 5.080 2.367 -0.090 1.00 0.00 C ATOM 237 C ALA A 139 6.030 3.173 -0.951 1.00 0.00 C ATOM 238 O ALA A 139 7.069 2.687 -1.385 1.00 0.00 O ATOM 239 CB ALA A 139 3.853 1.956 -0.890 1.00 0.00 C ATOM 0 H ALA A 139 3.720 3.434 1.094 1.00 0.00 H new ATOM 0 HA ALA A 139 5.571 1.455 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.161 1.358 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.187 1.369 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.331 2.847 -1.238 1.00 0.00 H new ATOM 245 N ARG A 140 5.670 4.432 -1.163 1.00 0.00 N ATOM 246 CA ARG A 140 6.495 5.340 -1.946 1.00 0.00 C ATOM 247 C ARG A 140 7.910 5.391 -1.372 1.00 0.00 C ATOM 248 O ARG A 140 8.884 5.569 -2.103 1.00 0.00 O ATOM 249 CB ARG A 140 5.872 6.740 -1.952 1.00 0.00 C ATOM 250 CG ARG A 140 6.745 7.801 -2.608 1.00 0.00 C ATOM 251 CD ARG A 140 6.715 7.688 -4.124 1.00 0.00 C ATOM 252 NE ARG A 140 6.553 8.991 -4.767 1.00 0.00 N ATOM 253 CZ ARG A 140 5.393 9.636 -4.851 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.291 9.106 -4.335 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.333 10.816 -5.454 1.00 0.00 N ATOM 0 H ARG A 140 4.811 4.847 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 140 6.548 4.976 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.915 6.699 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.664 7.039 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.402 8.792 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.771 7.699 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.638 7.225 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.897 7.032 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 140 7.378 9.431 -5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.331 8.199 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.405 9.606 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.176 11.228 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.444 11.311 -5.519 1.00 0.00 H new ATOM 269 N GLU A 141 8.010 5.226 -0.054 1.00 0.00 N ATOM 270 CA GLU A 141 9.296 5.245 0.627 1.00 0.00 C ATOM 271 C GLU A 141 9.956 3.875 0.576 1.00 0.00 C ATOM 272 O GLU A 141 11.175 3.763 0.448 1.00 0.00 O ATOM 273 CB GLU A 141 9.110 5.676 2.082 1.00 0.00 C ATOM 274 CG GLU A 141 8.934 7.174 2.258 1.00 0.00 C ATOM 275 CD GLU A 141 10.217 7.866 2.674 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.293 7.477 2.172 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.147 8.798 3.503 1.00 0.00 O ATOM 0 H GLU A 141 7.211 5.077 0.562 1.00 0.00 H new ATOM 0 HA GLU A 141 9.943 5.959 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.239 5.166 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.974 5.350 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.579 7.607 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.165 7.360 3.008 1.00 0.00 H new ATOM 284 N LYS A 142 9.139 2.836 0.691 1.00 0.00 N ATOM 285 CA LYS A 142 9.625 1.466 0.673 1.00 0.00 C ATOM 286 C LYS A 142 9.800 0.943 -0.754 1.00 0.00 C ATOM 287 O LYS A 142 9.775 -0.266 -0.984 1.00 0.00 O ATOM 288 CB LYS A 142 8.645 0.573 1.437 1.00 0.00 C ATOM 289 CG LYS A 142 8.568 0.856 2.934 1.00 0.00 C ATOM 290 CD LYS A 142 9.923 1.221 3.521 1.00 0.00 C ATOM 291 CE LYS A 142 9.812 1.571 4.996 1.00 0.00 C ATOM 292 NZ LYS A 142 11.141 1.873 5.596 1.00 0.00 N ATOM 0 H LYS A 142 8.128 2.920 0.799 1.00 0.00 H new ATOM 0 HA LYS A 142 10.604 1.447 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.651 0.693 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.932 -0.468 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.866 1.670 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.176 -0.022 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.613 0.387 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.342 2.067 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.155 2.432 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.351 0.741 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.022 2.107 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.760 1.042 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.570 2.681 5.101 1.00 0.00 H new ATOM 306 N GLY A 143 9.973 1.852 -1.712 1.00 0.00 N ATOM 307 CA GLY A 143 10.144 1.444 -3.096 1.00 0.00 C ATOM 308 C GLY A 143 9.003 0.572 -3.590 1.00 0.00 C ATOM 309 O GLY A 143 9.149 -0.164 -4.566 1.00 0.00 O ATOM 0 H GLY A 143 9.998 2.860 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.219 2.330 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.083 0.900 -3.198 1.00 0.00 H new ATOM 313 N VAL A 144 7.866 0.658 -2.910 1.00 0.00 N ATOM 314 CA VAL A 144 6.688 -0.119 -3.268 1.00 0.00 C ATOM 315 C VAL A 144 5.605 0.775 -3.860 1.00 0.00 C ATOM 316 O VAL A 144 5.416 1.911 -3.428 1.00 0.00 O ATOM 317 CB VAL A 144 6.121 -0.860 -2.039 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.743 -1.441 -2.331 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.079 -1.951 -1.591 1.00 0.00 C ATOM 0 H VAL A 144 7.736 1.264 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 144 6.995 -0.851 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 144 6.012 -0.138 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.371 -1.957 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.058 -0.636 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.814 -2.146 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.665 -2.465 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.222 -2.665 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.038 -1.507 -1.326 1.00 0.00 H new ATOM 329 N ASP A 145 4.891 0.244 -4.843 1.00 0.00 N ATOM 330 CA ASP A 145 3.816 0.976 -5.490 1.00 0.00 C ATOM 331 C ASP A 145 2.486 0.279 -5.241 1.00 0.00 C ATOM 332 O ASP A 145 2.359 -0.927 -5.450 1.00 0.00 O ATOM 333 CB ASP A 145 4.078 1.091 -6.994 1.00 0.00 C ATOM 334 CG ASP A 145 3.206 2.141 -7.653 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.977 2.118 -7.428 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.751 2.986 -8.395 1.00 0.00 O ATOM 0 H ASP A 145 5.040 -0.696 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 145 3.774 1.980 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.127 1.337 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.899 0.125 -7.466 1.00 0.00 H new ATOM 341 N ILE A 146 1.497 1.043 -4.797 1.00 0.00 N ATOM 342 CA ILE A 146 0.175 0.493 -4.522 1.00 0.00 C ATOM 343 C ILE A 146 -0.356 -0.289 -5.723 1.00 0.00 C ATOM 344 O ILE A 146 -1.227 -1.147 -5.579 1.00 0.00 O ATOM 345 CB ILE A 146 -0.832 1.602 -4.156 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.267 2.501 -3.053 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.159 0.998 -3.719 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.041 1.782 -1.741 1.00 0.00 C ATOM 0 H ILE A 146 1.584 2.044 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 146 0.283 -0.181 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.005 2.211 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.677 2.927 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.951 3.333 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.856 1.796 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.572 0.401 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.000 0.364 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.360 2.481 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.987 1.379 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.667 0.967 -1.890 1.00 0.00 H new ATOM 360 N ARG A 147 0.182 0.002 -6.907 1.00 0.00 N ATOM 361 CA ARG A 147 -0.239 -0.685 -8.121 1.00 0.00 C ATOM 362 C ARG A 147 0.101 -2.167 -8.032 1.00 0.00 C ATOM 363 O ARG A 147 -0.632 -3.018 -8.536 1.00 0.00 O ATOM 364 CB ARG A 147 0.437 -0.066 -9.347 1.00 0.00 C ATOM 365 CG ARG A 147 -0.308 1.130 -9.914 1.00 0.00 C ATOM 366 CD ARG A 147 0.399 1.699 -11.133 1.00 0.00 C ATOM 367 NE ARG A 147 0.408 3.160 -11.130 1.00 0.00 N ATOM 368 CZ ARG A 147 1.239 3.899 -11.862 1.00 0.00 C ATOM 369 NH1 ARG A 147 2.128 3.318 -12.657 1.00 0.00 N ATOM 370 NH2 ARG A 147 1.181 5.222 -11.799 1.00 0.00 N ATOM 0 H ARG A 147 0.907 0.706 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.319 -0.575 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.448 0.241 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.530 -0.826 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.321 0.834 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.395 1.902 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.424 1.331 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.094 1.342 -12.037 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.262 3.643 -10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.177 2.301 -12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.762 3.889 -13.216 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.499 5.674 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.818 5.788 -12.360 1.00 0.00 H new ATOM 384 N LEU A 148 1.217 -2.463 -7.377 1.00 0.00 N ATOM 385 CA LEU A 148 1.666 -3.835 -7.201 1.00 0.00 C ATOM 386 C LEU A 148 1.058 -4.449 -5.942 1.00 0.00 C ATOM 387 O LEU A 148 1.267 -5.628 -5.653 1.00 0.00 O ATOM 388 CB LEU A 148 3.193 -3.886 -7.117 1.00 0.00 C ATOM 389 CG LEU A 148 3.922 -2.685 -7.718 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.418 -2.802 -7.493 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.609 -2.559 -9.201 1.00 0.00 C ATOM 0 H LEU A 148 1.830 -1.764 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 148 1.335 -4.413 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.480 -3.977 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.538 -4.789 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 148 3.572 -1.783 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.920 -1.938 -7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.623 -2.840 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.787 -3.712 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.137 -1.698 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.930 -3.463 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.536 -2.425 -9.336 1.00 0.00 H new ATOM 403 N VAL A 149 0.312 -3.642 -5.190 1.00 0.00 N ATOM 404 CA VAL A 149 -0.313 -4.104 -3.958 1.00 0.00 C ATOM 405 C VAL A 149 -1.833 -4.043 -4.051 1.00 0.00 C ATOM 406 O VAL A 149 -2.402 -3.013 -4.412 1.00 0.00 O ATOM 407 CB VAL A 149 0.144 -3.263 -2.750 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.186 -3.973 -1.448 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.634 -2.956 -2.838 1.00 0.00 C ATOM 0 H VAL A 149 0.127 -2.664 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.001 -5.139 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.397 -2.317 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.145 -3.363 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.263 -4.130 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.323 -4.936 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.935 -2.362 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.198 -3.889 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.837 -2.398 -3.752 1.00 0.00 H new ATOM 419 N GLN A 150 -2.485 -5.149 -3.712 1.00 0.00 N ATOM 420 CA GLN A 150 -3.940 -5.218 -3.747 1.00 0.00 C ATOM 421 C GLN A 150 -4.523 -4.778 -2.407 1.00 0.00 C ATOM 422 O GLN A 150 -4.632 -5.576 -1.476 1.00 0.00 O ATOM 423 CB GLN A 150 -4.398 -6.641 -4.079 1.00 0.00 C ATOM 424 CG GLN A 150 -5.450 -6.700 -5.175 1.00 0.00 C ATOM 425 CD GLN A 150 -5.609 -8.090 -5.758 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.122 -9.072 -5.196 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.291 -8.181 -6.894 1.00 0.00 N ATOM 0 H GLN A 150 -2.029 -6.010 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.300 -4.544 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.533 -7.230 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.798 -7.105 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.407 -6.367 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.180 -6.005 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.677 -7.341 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.428 -9.090 -7.335 1.00 0.00 H new ATOM 436 N GLY A 151 -4.885 -3.503 -2.312 1.00 0.00 N ATOM 437 CA GLY A 151 -5.438 -2.982 -1.080 1.00 0.00 C ATOM 438 C GLY A 151 -6.710 -3.686 -0.658 1.00 0.00 C ATOM 439 O GLY A 151 -7.599 -3.919 -1.475 1.00 0.00 O ATOM 0 H GLY A 151 -4.804 -2.823 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.697 -3.077 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.641 -1.918 -1.201 1.00 0.00 H new ATOM 443 N THR A 152 -6.793 -4.022 0.625 1.00 0.00 N ATOM 444 CA THR A 152 -7.964 -4.698 1.170 1.00 0.00 C ATOM 445 C THR A 152 -8.633 -3.838 2.240 1.00 0.00 C ATOM 446 O THR A 152 -9.294 -4.356 3.142 1.00 0.00 O ATOM 447 CB THR A 152 -7.569 -6.054 1.757 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.194 -6.073 2.096 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.824 -7.212 0.816 1.00 0.00 C ATOM 0 H THR A 152 -6.060 -3.836 1.309 1.00 0.00 H new ATOM 0 HA THR A 152 -8.675 -4.858 0.360 1.00 0.00 H new ATOM 0 HB THR A 152 -8.196 -6.179 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.962 -6.948 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.522 -8.143 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.886 -7.257 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.249 -7.071 -0.099 1.00 0.00 H new ATOM 457 N GLY A 153 -8.448 -2.524 2.143 1.00 0.00 N ATOM 458 CA GLY A 153 -9.031 -1.618 3.117 1.00 0.00 C ATOM 459 C GLY A 153 -10.360 -1.042 2.668 1.00 0.00 C ATOM 460 O GLY A 153 -10.403 -0.140 1.832 1.00 0.00 O ATOM 0 H GLY A 153 -7.905 -2.071 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.170 -2.147 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.334 -0.802 3.309 1.00 0.00 H new ATOM 464 N LYS A 154 -11.444 -1.560 3.236 1.00 0.00 N ATOM 465 CA LYS A 154 -12.790 -1.097 2.907 1.00 0.00 C ATOM 466 C LYS A 154 -13.066 -1.198 1.406 1.00 0.00 C ATOM 467 O LYS A 154 -13.660 -2.171 0.941 1.00 0.00 O ATOM 468 CB LYS A 154 -12.987 0.345 3.387 1.00 0.00 C ATOM 469 CG LYS A 154 -13.924 0.466 4.577 1.00 0.00 C ATOM 470 CD LYS A 154 -15.372 0.602 4.135 1.00 0.00 C ATOM 471 CE LYS A 154 -15.760 2.060 3.941 1.00 0.00 C ATOM 472 NZ LYS A 154 -17.230 2.264 4.061 1.00 0.00 N ATOM 0 H LYS A 154 -11.417 -2.306 3.931 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.500 -1.744 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.018 0.766 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.379 0.943 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.818 -0.411 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.643 1.332 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.522 0.057 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -16.025 0.146 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.247 2.674 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -15.426 2.397 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -17.453 3.270 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -17.719 1.698 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -17.546 1.966 5.006 1.00 0.00 H new ATOM 486 N ASN A 155 -12.638 -0.188 0.652 1.00 0.00 N ATOM 487 CA ASN A 155 -12.848 -0.169 -0.792 1.00 0.00 C ATOM 488 C ASN A 155 -11.624 -0.698 -1.532 1.00 0.00 C ATOM 489 O ASN A 155 -11.294 -0.226 -2.620 1.00 0.00 O ATOM 490 CB ASN A 155 -13.168 1.250 -1.262 1.00 0.00 C ATOM 491 CG ASN A 155 -14.567 1.686 -0.873 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.479 1.698 -1.699 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.742 2.050 0.392 1.00 0.00 N ATOM 0 H ASN A 155 -12.144 0.627 1.017 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.693 -0.820 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.443 1.943 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.062 1.304 -2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.661 2.355 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.957 2.025 1.043 1.00 0.00 H new ATOM 500 N GLY A 156 -10.956 -1.682 -0.939 1.00 0.00 N ATOM 501 CA GLY A 156 -9.779 -2.257 -1.561 1.00 0.00 C ATOM 502 C GLY A 156 -8.565 -1.354 -1.452 1.00 0.00 C ATOM 503 O GLY A 156 -7.661 -1.414 -2.285 1.00 0.00 O ATOM 0 H GLY A 156 -11.209 -2.091 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.557 -3.217 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.988 -2.455 -2.612 1.00 0.00 H new ATOM 507 N ARG A 157 -8.551 -0.509 -0.427 1.00 0.00 N ATOM 508 CA ARG A 157 -7.449 0.421 -0.210 1.00 0.00 C ATOM 509 C ARG A 157 -6.257 -0.277 0.435 1.00 0.00 C ATOM 510 O ARG A 157 -6.420 -1.108 1.329 1.00 0.00 O ATOM 511 CB ARG A 157 -7.918 1.583 0.669 1.00 0.00 C ATOM 512 CG ARG A 157 -6.946 2.747 0.719 1.00 0.00 C ATOM 513 CD ARG A 157 -7.632 4.026 1.174 1.00 0.00 C ATOM 514 NE ARG A 157 -8.738 4.396 0.296 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.718 5.226 0.645 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.733 5.776 1.854 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.688 5.508 -0.215 1.00 0.00 N ATOM 0 H ARG A 157 -9.294 -0.449 0.269 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.129 0.805 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.879 1.940 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.083 1.216 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.128 2.510 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.507 2.899 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.004 3.896 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.905 4.837 1.202 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.761 3.994 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.991 5.563 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.487 6.411 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.683 5.089 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.439 6.144 0.054 1.00 0.00 H new ATOM 531 N VAL A 158 -5.054 0.062 -0.028 1.00 0.00 N ATOM 532 CA VAL A 158 -3.836 -0.537 0.503 1.00 0.00 C ATOM 533 C VAL A 158 -3.499 0.022 1.879 1.00 0.00 C ATOM 534 O VAL A 158 -3.527 1.234 2.100 1.00 0.00 O ATOM 535 CB VAL A 158 -2.632 -0.324 -0.447 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.311 -0.634 0.249 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.780 -1.185 -1.689 1.00 0.00 C ATOM 0 H VAL A 158 -4.900 0.747 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.027 -1.607 0.590 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.622 0.726 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.487 -0.474 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.191 0.022 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.309 -1.672 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.926 -1.024 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.823 -2.235 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.697 -0.914 -2.212 1.00 0.00 H new ATOM 547 N LEU A 159 -3.170 -0.878 2.794 1.00 0.00 N ATOM 548 CA LEU A 159 -2.809 -0.502 4.150 1.00 0.00 C ATOM 549 C LEU A 159 -1.303 -0.621 4.340 1.00 0.00 C ATOM 550 O LEU A 159 -0.632 -1.311 3.574 1.00 0.00 O ATOM 551 CB LEU A 159 -3.533 -1.405 5.150 1.00 0.00 C ATOM 552 CG LEU A 159 -5.063 -1.308 5.131 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.656 -1.948 6.376 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.515 0.142 5.012 1.00 0.00 C ATOM 0 H LEU A 159 -3.146 -1.882 2.618 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.107 0.532 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.248 -2.439 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.182 -1.163 6.153 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.424 -1.850 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.743 -1.869 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.370 -2.999 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.281 -1.436 7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.604 0.184 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.139 0.711 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.126 0.570 4.088 1.00 0.00 H new ATOM 566 N LYS A 160 -0.764 0.036 5.361 1.00 0.00 N ATOM 567 CA LYS A 160 0.668 -0.040 5.615 1.00 0.00 C ATOM 568 C LYS A 160 1.085 -1.497 5.767 1.00 0.00 C ATOM 569 O LYS A 160 2.194 -1.881 5.398 1.00 0.00 O ATOM 570 CB LYS A 160 1.051 0.755 6.863 1.00 0.00 C ATOM 571 CG LYS A 160 2.545 1.016 6.977 1.00 0.00 C ATOM 572 CD LYS A 160 2.999 1.024 8.428 1.00 0.00 C ATOM 573 CE LYS A 160 4.507 0.858 8.539 1.00 0.00 C ATOM 574 NZ LYS A 160 5.217 2.165 8.464 1.00 0.00 N ATOM 0 H LYS A 160 -1.287 0.618 6.016 1.00 0.00 H new ATOM 0 HA LYS A 160 1.193 0.399 4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.523 1.708 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.716 0.213 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.092 0.250 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.785 1.973 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.699 1.960 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.502 0.220 8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.750 0.367 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.860 0.207 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.693 2.249 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.531 2.939 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.924 2.220 9.225 1.00 0.00 H new ATOM 588 N GLU A 161 0.169 -2.310 6.289 1.00 0.00 N ATOM 589 CA GLU A 161 0.426 -3.731 6.459 1.00 0.00 C ATOM 590 C GLU A 161 0.570 -4.381 5.091 1.00 0.00 C ATOM 591 O GLU A 161 1.407 -5.261 4.892 1.00 0.00 O ATOM 592 CB GLU A 161 -0.711 -4.392 7.243 1.00 0.00 C ATOM 593 CG GLU A 161 -1.091 -3.645 8.510 1.00 0.00 C ATOM 594 CD GLU A 161 -1.262 -4.567 9.702 1.00 0.00 C ATOM 595 OE1 GLU A 161 -0.454 -5.508 9.846 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.206 -4.349 10.490 1.00 0.00 O ATOM 0 H GLU A 161 -0.754 -2.007 6.600 1.00 0.00 H new ATOM 0 HA GLU A 161 1.349 -3.863 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.588 -4.469 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.417 -5.409 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.323 -2.905 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.020 -3.100 8.341 1.00 0.00 H new ATOM 603 N ASP A 162 -0.240 -3.915 4.142 1.00 0.00 N ATOM 604 CA ASP A 162 -0.190 -4.425 2.777 1.00 0.00 C ATOM 605 C ASP A 162 1.182 -4.147 2.178 1.00 0.00 C ATOM 606 O ASP A 162 1.834 -5.040 1.636 1.00 0.00 O ATOM 607 CB ASP A 162 -1.278 -3.771 1.925 1.00 0.00 C ATOM 608 CG ASP A 162 -2.595 -4.518 1.982 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.591 -5.748 1.766 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.632 -3.872 2.246 1.00 0.00 O ATOM 0 H ASP A 162 -0.937 -3.186 4.295 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.364 -5.501 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.432 -2.746 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.940 -3.718 0.890 1.00 0.00 H new ATOM 615 N ILE A 163 1.613 -2.897 2.299 1.00 0.00 N ATOM 616 CA ILE A 163 2.915 -2.469 1.795 1.00 0.00 C ATOM 617 C ILE A 163 4.019 -3.375 2.327 1.00 0.00 C ATOM 618 O ILE A 163 4.795 -3.947 1.560 1.00 0.00 O ATOM 619 CB ILE A 163 3.237 -1.022 2.221 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.075 -0.090 1.891 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.521 -0.539 1.554 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.717 -0.086 0.431 1.00 0.00 C ATOM 0 H ILE A 163 1.075 -2.155 2.746 1.00 0.00 H new ATOM 0 HA ILE A 163 2.868 -2.526 0.707 1.00 0.00 H new ATOM 0 HB ILE A 163 3.386 -1.010 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.202 -0.388 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.332 0.924 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.731 0.484 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.348 -1.185 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.402 -0.570 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.884 0.596 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.577 0.240 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.430 -1.092 0.124 1.00 0.00 H new ATOM 634 N ASP A 164 4.083 -3.498 3.649 1.00 0.00 N ATOM 635 CA ASP A 164 5.088 -4.331 4.294 1.00 0.00 C ATOM 636 C ASP A 164 5.028 -5.758 3.759 1.00 0.00 C ATOM 637 O ASP A 164 6.059 -6.390 3.526 1.00 0.00 O ATOM 638 CB ASP A 164 4.885 -4.333 5.810 1.00 0.00 C ATOM 639 CG ASP A 164 6.198 -4.362 6.569 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.233 -3.984 5.980 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.191 -4.764 7.752 1.00 0.00 O ATOM 0 H ASP A 164 3.448 -3.029 4.295 1.00 0.00 H new ATOM 0 HA ASP A 164 6.070 -3.915 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.321 -3.447 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.286 -5.199 6.093 1.00 0.00 H new ATOM 646 N ALA A 165 3.811 -6.256 3.559 1.00 0.00 N ATOM 647 CA ALA A 165 3.615 -7.605 3.043 1.00 0.00 C ATOM 648 C ALA A 165 4.254 -7.752 1.669 1.00 0.00 C ATOM 649 O ALA A 165 4.833 -8.789 1.348 1.00 0.00 O ATOM 650 CB ALA A 165 2.131 -7.935 2.978 1.00 0.00 C ATOM 0 H ALA A 165 2.948 -5.746 3.746 1.00 0.00 H new ATOM 0 HA ALA A 165 4.098 -8.308 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.000 -8.945 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.700 -7.870 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.629 -7.226 2.320 1.00 0.00 H new ATOM 656 N TRP A 166 4.151 -6.700 0.861 1.00 0.00 N ATOM 657 CA TRP A 166 4.726 -6.704 -0.480 1.00 0.00 C ATOM 658 C TRP A 166 6.232 -6.932 -0.414 1.00 0.00 C ATOM 659 O TRP A 166 6.758 -7.871 -1.011 1.00 0.00 O ATOM 660 CB TRP A 166 4.436 -5.378 -1.182 1.00 0.00 C ATOM 661 CG TRP A 166 4.683 -5.417 -2.659 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.573 -4.656 -3.360 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.031 -6.259 -3.618 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.515 -4.971 -4.696 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.577 -5.952 -4.879 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.041 -7.241 -3.533 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.164 -6.593 -6.044 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.632 -7.877 -4.691 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.194 -7.551 -5.932 1.00 0.00 C ATOM 0 H TRP A 166 3.674 -5.834 1.112 1.00 0.00 H new ATOM 0 HA TRP A 166 4.271 -7.516 -1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.397 -5.101 -1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.055 -4.598 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.228 -3.914 -2.927 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.078 -4.544 -5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.603 -7.499 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.594 -6.343 -7.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.867 -8.637 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.855 -8.066 -6.818 1.00 0.00 H new ATOM 680 N LEU A 167 6.915 -6.063 0.320 1.00 0.00 N ATOM 681 CA LEU A 167 8.361 -6.157 0.475 1.00 0.00 C ATOM 682 C LEU A 167 8.750 -7.448 1.188 1.00 0.00 C ATOM 683 O LEU A 167 9.815 -8.012 0.938 1.00 0.00 O ATOM 684 CB LEU A 167 8.886 -4.950 1.256 1.00 0.00 C ATOM 685 CG LEU A 167 8.515 -3.591 0.659 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.903 -2.685 1.718 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.733 -2.930 0.030 1.00 0.00 C ATOM 0 H LEU A 167 6.489 -5.282 0.819 1.00 0.00 H new ATOM 0 HA LEU A 167 8.810 -6.165 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.504 -5.000 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.972 -5.020 1.319 1.00 0.00 H new ATOM 0 HG LEU A 167 7.772 -3.755 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.647 -1.724 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.002 -3.150 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.621 -2.531 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.448 -1.965 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.500 -2.783 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.124 -3.568 -0.762 1.00 0.00 H new ATOM 699 N ALA A 168 7.878 -7.910 2.078 1.00 0.00 N ATOM 700 CA ALA A 168 8.128 -9.134 2.829 1.00 0.00 C ATOM 701 C ALA A 168 8.057 -10.361 1.925 1.00 0.00 C ATOM 702 O ALA A 168 8.660 -11.394 2.217 1.00 0.00 O ATOM 703 CB ALA A 168 7.134 -9.261 3.973 1.00 0.00 C ATOM 0 H ALA A 168 6.992 -7.455 2.297 1.00 0.00 H new ATOM 0 HA ALA A 168 9.136 -9.078 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.331 -10.179 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.237 -8.406 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.120 -9.289 3.573 1.00 0.00 H new