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 Set 1.1: A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 155 ASN :FLIP amide:sc= -0.242 F(o=-0.77,f=-0.24) 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 30:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.363 3.364 -4.879 1.00 0.00 N ATOM 82 CA ILE A 130 -6.153 3.445 -3.658 1.00 0.00 C ATOM 83 C ILE A 130 -5.303 3.092 -2.445 1.00 0.00 C ATOM 84 O ILE A 130 -4.884 1.946 -2.278 1.00 0.00 O ATOM 85 CB ILE A 130 -7.380 2.516 -3.714 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.193 2.804 -4.973 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.244 2.692 -2.473 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.823 1.926 -6.148 1.00 0.00 C ATOM 0 HA ILE A 130 -6.504 4.473 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.034 1.483 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.252 2.671 -4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.055 3.848 -5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.106 2.027 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.659 2.450 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.587 3.725 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.442 2.187 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.773 2.076 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.988 0.881 -5.887 1.00 0.00 H new ATOM 100 N ALA A 131 -5.049 4.086 -1.606 1.00 0.00 N ATOM 101 CA ALA A 131 -4.243 3.888 -0.408 1.00 0.00 C ATOM 102 C ALA A 131 -4.302 5.106 0.507 1.00 0.00 C ATOM 103 O ALA A 131 -4.483 6.233 0.045 1.00 0.00 O ATOM 104 CB ALA A 131 -2.802 3.581 -0.792 1.00 0.00 C ATOM 0 H ALA A 131 -5.390 5.039 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.653 3.040 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.208 3.435 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.772 2.675 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.393 4.413 -1.365 1.00 0.00 H new ATOM 110 N MET A 132 -4.144 4.872 1.804 1.00 0.00 N ATOM 111 CA MET A 132 -4.176 5.949 2.786 1.00 0.00 C ATOM 112 C MET A 132 -3.104 6.994 2.483 1.00 0.00 C ATOM 113 O MET A 132 -2.041 6.668 1.955 1.00 0.00 O ATOM 114 CB MET A 132 -3.975 5.383 4.194 1.00 0.00 C ATOM 115 CG MET A 132 -5.269 5.243 4.980 1.00 0.00 C ATOM 116 SD MET A 132 -5.226 3.870 6.148 1.00 0.00 S ATOM 117 CE MET A 132 -4.728 4.714 7.647 1.00 0.00 C ATOM 0 H MET A 132 -3.992 3.945 2.201 1.00 0.00 H new ATOM 0 HA MET A 132 -5.151 6.433 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.496 4.407 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.293 6.031 4.744 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.463 6.169 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.097 5.099 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.657 3.995 8.463 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.757 5.186 7.494 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.466 5.476 7.898 1.00 0.00 H new ATOM 127 N PRO A 133 -3.371 8.270 2.814 1.00 0.00 N ATOM 128 CA PRO A 133 -2.423 9.363 2.573 1.00 0.00 C ATOM 129 C PRO A 133 -1.037 9.069 3.138 1.00 0.00 C ATOM 130 O PRO A 133 -0.037 9.606 2.663 1.00 0.00 O ATOM 131 CB PRO A 133 -3.056 10.550 3.301 1.00 0.00 C ATOM 132 CG PRO A 133 -4.513 10.241 3.335 1.00 0.00 C ATOM 133 CD PRO A 133 -4.615 8.746 3.447 1.00 0.00 C ATOM 0 HA PRO A 133 -2.263 9.534 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.651 10.659 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.862 11.485 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.996 10.730 4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.009 10.600 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.685 8.425 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.498 8.364 2.935 1.00 0.00 H new ATOM 141 N SER A 134 -0.987 8.215 4.155 1.00 0.00 N ATOM 142 CA SER A 134 0.277 7.854 4.786 1.00 0.00 C ATOM 143 C SER A 134 0.889 6.623 4.123 1.00 0.00 C ATOM 144 O SER A 134 2.110 6.502 4.024 1.00 0.00 O ATOM 145 CB SER A 134 0.068 7.589 6.278 1.00 0.00 C ATOM 146 OG SER A 134 -0.397 8.752 6.942 1.00 0.00 O ATOM 0 H SER A 134 -1.806 7.761 4.559 1.00 0.00 H new ATOM 0 HA SER A 134 0.965 8.690 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.650 6.780 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 134 1.005 7.260 6.727 1.00 0.00 H new ATOM 0 HG SER A 134 -0.524 8.556 7.894 1.00 0.00 H new ATOM 152 N VAL A 135 0.033 5.712 3.673 1.00 0.00 N ATOM 153 CA VAL A 135 0.492 4.490 3.024 1.00 0.00 C ATOM 154 C VAL A 135 1.248 4.795 1.743 1.00 0.00 C ATOM 155 O VAL A 135 2.330 4.261 1.507 1.00 0.00 O ATOM 156 CB VAL A 135 -0.679 3.548 2.700 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.190 2.311 1.955 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.403 3.165 3.977 1.00 0.00 C ATOM 0 H VAL A 135 -0.981 5.797 3.746 1.00 0.00 H new ATOM 0 HA VAL A 135 1.161 3.997 3.729 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.379 4.070 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.036 1.660 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.286 2.613 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.530 1.775 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.231 2.498 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.711 2.659 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.788 4.063 4.460 1.00 0.00 H new ATOM 168 N ARG A 136 0.676 5.655 0.915 1.00 0.00 N ATOM 169 CA ARG A 136 1.308 6.023 -0.343 1.00 0.00 C ATOM 170 C ARG A 136 2.720 6.533 -0.087 1.00 0.00 C ATOM 171 O ARG A 136 3.604 6.399 -0.929 1.00 0.00 O ATOM 172 CB ARG A 136 0.485 7.093 -1.062 1.00 0.00 C ATOM 173 CG ARG A 136 -0.650 6.527 -1.899 1.00 0.00 C ATOM 174 CD ARG A 136 -1.762 7.546 -2.090 1.00 0.00 C ATOM 175 NE ARG A 136 -1.264 8.802 -2.646 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.989 8.984 -3.936 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.163 7.996 -4.804 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.540 10.158 -4.358 1.00 0.00 N ATOM 0 H ARG A 136 -0.220 6.110 1.090 1.00 0.00 H new ATOM 0 HA ARG A 136 1.359 5.139 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.073 7.780 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.144 7.675 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.267 6.218 -2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.051 5.636 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.523 7.133 -2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.245 7.740 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.119 9.585 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.509 7.091 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.951 8.141 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.405 10.921 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.329 10.298 -5.346 1.00 0.00 H new ATOM 192 N LYS A 137 2.925 7.096 1.100 1.00 0.00 N ATOM 193 CA LYS A 137 4.228 7.605 1.491 1.00 0.00 C ATOM 194 C LYS A 137 5.132 6.455 1.898 1.00 0.00 C ATOM 195 O LYS A 137 6.316 6.425 1.560 1.00 0.00 O ATOM 196 CB LYS A 137 4.089 8.599 2.646 1.00 0.00 C ATOM 197 CG LYS A 137 5.360 9.384 2.930 1.00 0.00 C ATOM 198 CD LYS A 137 5.537 10.536 1.952 1.00 0.00 C ATOM 199 CE LYS A 137 6.907 10.506 1.295 1.00 0.00 C ATOM 200 NZ LYS A 137 6.990 11.441 0.139 1.00 0.00 N ATOM 0 H LYS A 137 2.200 7.210 1.808 1.00 0.00 H new ATOM 0 HA LYS A 137 4.671 8.122 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.284 9.297 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.797 8.058 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.329 9.772 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.221 8.718 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.764 10.485 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.405 11.483 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.668 10.769 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.126 9.493 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.940 11.390 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.281 11.175 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.806 12.412 0.464 1.00 0.00 H new ATOM 214 N TYR A 138 4.559 5.507 2.634 1.00 0.00 N ATOM 215 CA TYR A 138 5.310 4.354 3.098 1.00 0.00 C ATOM 216 C TYR A 138 5.735 3.480 1.929 1.00 0.00 C ATOM 217 O TYR A 138 6.900 3.122 1.814 1.00 0.00 O ATOM 218 CB TYR A 138 4.458 3.544 4.065 1.00 0.00 C ATOM 219 CG TYR A 138 5.123 2.267 4.522 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.353 2.288 5.169 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.525 1.038 4.292 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.963 1.118 5.577 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.126 -0.133 4.697 1.00 0.00 C ATOM 224 CZ TYR A 138 6.345 -0.090 5.339 1.00 0.00 C ATOM 225 OH TYR A 138 6.948 -1.259 5.743 1.00 0.00 O ATOM 0 H TYR A 138 3.580 5.518 2.919 1.00 0.00 H new ATOM 0 HA TYR A 138 6.207 4.706 3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.227 4.157 4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.510 3.300 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.839 3.234 5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.571 0.998 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.918 1.150 6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.644 -1.082 4.512 1.00 0.00 H new ATOM 0 HH TYR A 138 7.492 -1.088 6.540 1.00 0.00 H new ATOM 235 N ALA A 139 4.801 3.171 1.039 1.00 0.00 N ATOM 236 CA ALA A 139 5.118 2.374 -0.133 1.00 0.00 C ATOM 237 C ALA A 139 6.091 3.145 -1.001 1.00 0.00 C ATOM 238 O ALA A 139 7.102 2.616 -1.454 1.00 0.00 O ATOM 239 CB ALA A 139 3.859 2.037 -0.920 1.00 0.00 C ATOM 0 H ALA A 139 3.825 3.459 1.107 1.00 0.00 H new ATOM 0 HA ALA A 139 5.570 1.435 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.124 1.440 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.175 1.471 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.375 2.958 -1.244 1.00 0.00 H new ATOM 245 N ARG A 140 5.784 4.418 -1.204 1.00 0.00 N ATOM 246 CA ARG A 140 6.633 5.292 -1.998 1.00 0.00 C ATOM 247 C ARG A 140 8.062 5.288 -1.455 1.00 0.00 C ATOM 248 O ARG A 140 9.025 5.428 -2.210 1.00 0.00 O ATOM 249 CB ARG A 140 6.064 6.715 -1.986 1.00 0.00 C ATOM 250 CG ARG A 140 6.940 7.737 -2.695 1.00 0.00 C ATOM 251 CD ARG A 140 6.387 8.086 -4.069 1.00 0.00 C ATOM 252 NE ARG A 140 6.005 9.493 -4.163 1.00 0.00 N ATOM 253 CZ ARG A 140 5.820 10.136 -5.313 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.979 9.502 -6.469 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.473 11.416 -5.309 1.00 0.00 N ATOM 0 H ARG A 140 4.950 4.869 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 140 6.656 4.925 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.081 6.706 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.920 7.029 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.010 8.641 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.951 7.343 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.136 7.862 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.520 7.460 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 140 5.872 10.013 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.244 8.517 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 140 5.836 10.000 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 140 5.348 11.908 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.331 11.909 -6.191 1.00 0.00 H new ATOM 269 N GLU A 141 8.191 5.123 -0.141 1.00 0.00 N ATOM 270 CA GLU A 141 9.494 5.095 0.508 1.00 0.00 C ATOM 271 C GLU A 141 10.103 3.702 0.454 1.00 0.00 C ATOM 272 O GLU A 141 11.312 3.541 0.285 1.00 0.00 O ATOM 273 CB GLU A 141 9.364 5.551 1.960 1.00 0.00 C ATOM 274 CG GLU A 141 9.237 7.055 2.115 1.00 0.00 C ATOM 275 CD GLU A 141 10.429 7.802 1.552 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.470 7.863 2.239 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.323 8.327 0.423 1.00 0.00 O ATOM 0 H GLU A 141 7.403 5.006 0.496 1.00 0.00 H new ATOM 0 HA GLU A 141 10.155 5.777 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.491 5.073 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.235 5.209 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.331 7.393 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.126 7.299 3.171 1.00 0.00 H new ATOM 284 N LYS A 142 9.251 2.701 0.620 1.00 0.00 N ATOM 285 CA LYS A 142 9.671 1.313 0.617 1.00 0.00 C ATOM 286 C LYS A 142 9.817 0.762 -0.803 1.00 0.00 C ATOM 287 O LYS A 142 9.700 -0.445 -1.017 1.00 0.00 O ATOM 288 CB LYS A 142 8.642 0.491 1.391 1.00 0.00 C ATOM 289 CG LYS A 142 8.466 0.910 2.844 1.00 0.00 C ATOM 290 CD LYS A 142 9.792 1.228 3.497 1.00 0.00 C ATOM 291 CE LYS A 142 10.654 -0.011 3.596 1.00 0.00 C ATOM 292 NZ LYS A 142 11.970 0.271 4.233 1.00 0.00 N ATOM 0 H LYS A 142 8.249 2.831 0.760 1.00 0.00 H new ATOM 0 HA LYS A 142 10.651 1.246 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.680 0.567 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.936 -0.558 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.816 1.784 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 142 7.970 0.111 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.312 1.993 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.623 1.639 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.129 -0.772 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.815 -0.421 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.528 -0.606 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.484 0.978 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.819 0.637 5.194 1.00 0.00 H new ATOM 306 N GLY A 143 10.070 1.641 -1.772 1.00 0.00 N ATOM 307 CA GLY A 143 10.220 1.198 -3.150 1.00 0.00 C ATOM 308 C GLY A 143 9.034 0.379 -3.625 1.00 0.00 C ATOM 309 O GLY A 143 9.150 -0.423 -4.552 1.00 0.00 O ATOM 0 H GLY A 143 10.173 2.646 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.341 2.067 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.129 0.603 -3.241 1.00 0.00 H new ATOM 313 N VAL A 144 7.893 0.585 -2.978 1.00 0.00 N ATOM 314 CA VAL A 144 6.668 -0.128 -3.314 1.00 0.00 C ATOM 315 C VAL A 144 5.611 0.825 -3.854 1.00 0.00 C ATOM 316 O VAL A 144 5.466 1.949 -3.374 1.00 0.00 O ATOM 317 CB VAL A 144 6.100 -0.859 -2.079 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.705 -1.405 -2.356 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.038 -1.970 -1.639 1.00 0.00 C ATOM 0 H VAL A 144 7.792 1.248 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 144 6.920 -0.858 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 144 6.018 -0.136 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.331 -1.915 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.037 -0.583 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.748 -2.109 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.621 -2.474 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.158 -2.688 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.009 -1.546 -1.383 1.00 0.00 H new ATOM 329 N ASP A 145 4.864 0.355 -4.841 1.00 0.00 N ATOM 330 CA ASP A 145 3.804 1.143 -5.437 1.00 0.00 C ATOM 331 C ASP A 145 2.462 0.471 -5.186 1.00 0.00 C ATOM 332 O ASP A 145 2.313 -0.733 -5.392 1.00 0.00 O ATOM 333 CB ASP A 145 4.048 1.317 -6.936 1.00 0.00 C ATOM 334 CG ASP A 145 3.266 2.479 -7.516 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.029 2.506 -7.345 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.890 3.360 -8.143 1.00 0.00 O ATOM 0 H ASP A 145 4.976 -0.574 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 145 3.794 2.132 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.112 1.474 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.771 0.400 -7.456 1.00 0.00 H new ATOM 341 N ILE A 146 1.492 1.249 -4.728 1.00 0.00 N ATOM 342 CA ILE A 146 0.164 0.723 -4.434 1.00 0.00 C ATOM 343 C ILE A 146 -0.392 -0.094 -5.601 1.00 0.00 C ATOM 344 O ILE A 146 -1.249 -0.957 -5.407 1.00 0.00 O ATOM 345 CB ILE A 146 -0.825 1.855 -4.097 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.229 2.796 -3.047 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.144 1.281 -3.604 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.165 2.096 -1.764 1.00 0.00 C ATOM 0 H ILE A 146 1.598 2.248 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 146 0.274 0.071 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.013 2.426 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.648 3.288 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.954 3.577 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.830 2.095 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.579 0.651 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.969 0.686 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.580 2.823 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.714 1.627 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.913 1.333 -1.981 1.00 0.00 H new ATOM 360 N ARG A 147 0.099 0.170 -6.810 1.00 0.00 N ATOM 361 CA ARG A 147 -0.368 -0.560 -7.986 1.00 0.00 C ATOM 362 C ARG A 147 0.041 -2.025 -7.898 1.00 0.00 C ATOM 363 O ARG A 147 -0.682 -2.912 -8.354 1.00 0.00 O ATOM 364 CB ARG A 147 0.173 0.070 -9.273 1.00 0.00 C ATOM 365 CG ARG A 147 1.688 0.066 -9.374 1.00 0.00 C ATOM 366 CD ARG A 147 2.151 -0.133 -10.809 1.00 0.00 C ATOM 367 NE ARG A 147 3.279 0.735 -11.145 1.00 0.00 N ATOM 368 CZ ARG A 147 3.628 1.050 -12.390 1.00 0.00 C ATOM 369 NH1 ARG A 147 2.942 0.572 -13.421 1.00 0.00 N ATOM 370 NH2 ARG A 147 4.666 1.847 -12.606 1.00 0.00 N ATOM 0 H ARG A 147 0.811 0.875 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.456 -0.502 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.239 -0.465 -10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.182 1.098 -9.339 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.082 1.008 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.093 -0.728 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 147 2.438 -1.174 -10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.323 0.069 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 147 3.831 1.122 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.142 -0.041 -13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 147 3.215 0.817 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 147 5.197 2.218 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 147 4.934 2.089 -13.560 1.00 0.00 H new ATOM 384 N LEU A 148 1.197 -2.271 -7.293 1.00 0.00 N ATOM 385 CA LEU A 148 1.701 -3.622 -7.122 1.00 0.00 C ATOM 386 C LEU A 148 1.123 -4.257 -5.859 1.00 0.00 C ATOM 387 O LEU A 148 1.412 -5.412 -5.549 1.00 0.00 O ATOM 388 CB LEU A 148 3.229 -3.613 -7.037 1.00 0.00 C ATOM 389 CG LEU A 148 3.926 -2.466 -7.773 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.420 -2.495 -7.504 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.651 -2.548 -9.267 1.00 0.00 C ATOM 0 H LEU A 148 1.804 -1.545 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 148 1.393 -4.210 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.516 -3.574 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.603 -4.556 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 148 3.527 -1.522 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.901 -1.673 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.599 -2.391 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.834 -3.442 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.154 -1.725 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.024 -3.496 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.577 -2.482 -9.444 1.00 0.00 H new ATOM 403 N VAL A 149 0.316 -3.492 -5.126 1.00 0.00 N ATOM 404 CA VAL A 149 -0.285 -3.980 -3.893 1.00 0.00 C ATOM 405 C VAL A 149 -1.804 -4.058 -4.005 1.00 0.00 C ATOM 406 O VAL A 149 -2.461 -3.080 -4.362 1.00 0.00 O ATOM 407 CB VAL A 149 0.080 -3.075 -2.701 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.233 -3.769 -1.386 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.547 -2.667 -2.762 1.00 0.00 C ATOM 0 H VAL A 149 0.065 -2.533 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 149 0.113 -4.981 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.525 -2.171 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.032 -3.113 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.297 -4.000 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.342 -4.693 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.783 -2.028 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.174 -3.558 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.735 -2.122 -3.687 1.00 0.00 H new ATOM 419 N GLN A 150 -2.355 -5.225 -3.690 1.00 0.00 N ATOM 420 CA GLN A 150 -3.798 -5.429 -3.745 1.00 0.00 C ATOM 421 C GLN A 150 -4.453 -4.945 -2.457 1.00 0.00 C ATOM 422 O GLN A 150 -4.556 -5.691 -1.483 1.00 0.00 O ATOM 423 CB GLN A 150 -4.117 -6.908 -3.977 1.00 0.00 C ATOM 424 CG GLN A 150 -5.096 -7.147 -5.115 1.00 0.00 C ATOM 425 CD GLN A 150 -5.004 -8.553 -5.675 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.802 -9.424 -5.332 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.026 -8.781 -6.546 1.00 0.00 N ATOM 0 H GLN A 150 -1.824 -6.044 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.198 -4.850 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.191 -7.442 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.528 -7.331 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.111 -6.966 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.904 -6.429 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.386 -8.029 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.916 -9.708 -6.958 1.00 0.00 H new ATOM 436 N GLY A 151 -4.885 -3.689 -2.454 1.00 0.00 N ATOM 437 CA GLY A 151 -5.514 -3.123 -1.277 1.00 0.00 C ATOM 438 C GLY A 151 -6.730 -3.905 -0.822 1.00 0.00 C ATOM 439 O GLY A 151 -7.625 -4.192 -1.616 1.00 0.00 O ATOM 0 H GLY A 151 -4.810 -3.052 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.787 -3.087 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.808 -2.095 -1.488 1.00 0.00 H new ATOM 443 N THR A 152 -6.760 -4.247 0.461 1.00 0.00 N ATOM 444 CA THR A 152 -7.874 -4.992 1.034 1.00 0.00 C ATOM 445 C THR A 152 -8.564 -4.177 2.125 1.00 0.00 C ATOM 446 O THR A 152 -9.168 -4.736 3.041 1.00 0.00 O ATOM 447 CB THR A 152 -7.382 -6.324 1.608 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.997 -6.265 1.898 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.606 -7.496 0.676 1.00 0.00 C ATOM 0 H THR A 152 -6.022 -4.019 1.127 1.00 0.00 H new ATOM 0 HA THR A 152 -8.595 -5.192 0.241 1.00 0.00 H new ATOM 0 HB THR A 152 -7.968 -6.482 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.703 -7.125 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.235 -8.408 1.143 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.672 -7.600 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.073 -7.324 -0.259 1.00 0.00 H new ATOM 457 N GLY A 153 -8.462 -2.854 2.028 1.00 0.00 N ATOM 458 CA GLY A 153 -9.071 -1.989 3.021 1.00 0.00 C ATOM 459 C GLY A 153 -10.396 -1.403 2.569 1.00 0.00 C ATOM 460 O GLY A 153 -10.450 -0.644 1.601 1.00 0.00 O ATOM 0 H GLY A 153 -7.969 -2.367 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.225 -2.554 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.383 -1.177 3.257 1.00 0.00 H new ATOM 464 N LYS A 154 -11.462 -1.752 3.284 1.00 0.00 N ATOM 465 CA LYS A 154 -12.805 -1.261 2.979 1.00 0.00 C ATOM 466 C LYS A 154 -13.181 -1.502 1.514 1.00 0.00 C ATOM 467 O LYS A 154 -13.847 -2.487 1.194 1.00 0.00 O ATOM 468 CB LYS A 154 -12.918 0.229 3.324 1.00 0.00 C ATOM 469 CG LYS A 154 -13.966 0.528 4.382 1.00 0.00 C ATOM 470 CD LYS A 154 -15.269 1.005 3.757 1.00 0.00 C ATOM 471 CE LYS A 154 -15.086 2.326 3.025 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.665 2.286 1.654 1.00 0.00 N ATOM 0 H LYS A 154 -11.421 -2.380 4.087 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.509 -1.823 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.949 0.588 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.158 0.786 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.152 -0.368 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.589 1.289 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.638 0.251 3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -16.025 1.120 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.559 3.126 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.024 2.563 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.520 3.205 1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.197 1.540 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.684 2.085 1.713 1.00 0.00 H new ATOM 486 N ASN A 155 -12.762 -0.597 0.631 1.00 0.00 N ATOM 487 CA ASN A 155 -13.068 -0.720 -0.789 1.00 0.00 C ATOM 488 C ASN A 155 -11.869 -1.248 -1.566 1.00 0.00 C ATOM 489 O ASN A 155 -11.678 -0.913 -2.735 1.00 0.00 O ATOM 490 CB ASN A 155 -13.500 0.634 -1.356 1.00 0.00 C ATOM 491 CG ASN A 155 -12.501 1.733 -1.054 1.00 0.00 C ATOM 492 OD1 ASN A 155 -12.623 2.338 0.121 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -11.628 2.034 -1.868 1.00 0.00 N flip ATOM 0 H ASN A 155 -12.211 0.226 0.875 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.886 -1.432 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.627 0.549 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.471 0.905 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -11.571 1.542 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -10.962 2.775 -1.651 1.00 0.00 H new ATOM 500 N GLY A 156 -11.064 -2.076 -0.910 1.00 0.00 N ATOM 501 CA GLY A 156 -9.895 -2.637 -1.559 1.00 0.00 C ATOM 502 C GLY A 156 -8.700 -1.705 -1.518 1.00 0.00 C ATOM 503 O GLY A 156 -7.824 -1.772 -2.380 1.00 0.00 O ATOM 0 H GLY A 156 -11.200 -2.368 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.633 -3.579 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.136 -2.867 -2.597 1.00 0.00 H new ATOM 507 N ARG A 157 -8.664 -0.832 -0.517 1.00 0.00 N ATOM 508 CA ARG A 157 -7.567 0.118 -0.370 1.00 0.00 C ATOM 509 C ARG A 157 -6.351 -0.547 0.270 1.00 0.00 C ATOM 510 O ARG A 157 -6.485 -1.494 1.046 1.00 0.00 O ATOM 511 CB ARG A 157 -8.016 1.319 0.468 1.00 0.00 C ATOM 512 CG ARG A 157 -6.909 2.323 0.744 1.00 0.00 C ATOM 513 CD ARG A 157 -7.416 3.500 1.562 1.00 0.00 C ATOM 514 NE ARG A 157 -8.364 4.321 0.812 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.200 5.191 1.378 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.207 5.354 2.695 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.029 5.898 0.623 1.00 0.00 N ATOM 0 H ARG A 157 -9.382 -0.762 0.205 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.282 0.465 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.832 1.825 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.413 0.960 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.095 1.832 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.500 2.684 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.895 3.131 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.572 4.115 1.874 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.387 4.223 -0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.570 4.812 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.849 6.021 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.026 5.776 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.669 6.564 1.055 1.00 0.00 H new ATOM 531 N VAL A 158 -5.166 -0.047 -0.065 1.00 0.00 N ATOM 532 CA VAL A 158 -3.925 -0.594 0.470 1.00 0.00 C ATOM 533 C VAL A 158 -3.594 0.009 1.830 1.00 0.00 C ATOM 534 O VAL A 158 -3.657 1.224 2.020 1.00 0.00 O ATOM 535 CB VAL A 158 -2.740 -0.361 -0.496 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.404 -0.545 0.212 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.834 -1.299 -1.687 1.00 0.00 C ATOM 0 H VAL A 158 -5.039 0.737 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.079 -1.667 0.586 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.797 0.668 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.591 -0.374 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.326 0.167 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.337 -1.560 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.993 -1.122 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.810 -2.332 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.767 -1.117 -2.221 1.00 0.00 H new ATOM 547 N LEU A 159 -3.230 -0.856 2.765 1.00 0.00 N ATOM 548 CA LEU A 159 -2.870 -0.433 4.109 1.00 0.00 C ATOM 549 C LEU A 159 -1.365 -0.547 4.308 1.00 0.00 C ATOM 550 O LEU A 159 -0.686 -1.242 3.554 1.00 0.00 O ATOM 551 CB LEU A 159 -3.598 -1.296 5.142 1.00 0.00 C ATOM 552 CG LEU A 159 -5.123 -1.145 5.161 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.711 -1.795 6.403 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.522 0.322 5.087 1.00 0.00 C ATOM 0 H LEU A 159 -3.176 -1.863 2.615 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.167 0.607 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.355 -2.342 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.213 -1.052 6.132 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.524 -1.653 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.795 -1.677 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.462 -2.856 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.299 -1.319 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.609 0.405 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.106 0.856 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.138 0.758 4.165 1.00 0.00 H new ATOM 566 N LYS A 160 -0.836 0.123 5.326 1.00 0.00 N ATOM 567 CA LYS A 160 0.595 0.055 5.593 1.00 0.00 C ATOM 568 C LYS A 160 1.017 -1.398 5.761 1.00 0.00 C ATOM 569 O LYS A 160 2.121 -1.786 5.380 1.00 0.00 O ATOM 570 CB LYS A 160 0.962 0.859 6.840 1.00 0.00 C ATOM 571 CG LYS A 160 2.459 0.907 7.108 1.00 0.00 C ATOM 572 CD LYS A 160 2.792 0.435 8.515 1.00 0.00 C ATOM 573 CE LYS A 160 4.080 -0.373 8.542 1.00 0.00 C ATOM 574 NZ LYS A 160 3.983 -1.543 9.460 1.00 0.00 N ATOM 0 H LYS A 160 -1.366 0.710 5.970 1.00 0.00 H new ATOM 0 HA LYS A 160 1.125 0.490 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.587 1.877 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.459 0.425 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.979 0.283 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.821 1.926 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.888 1.297 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.972 -0.172 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.312 -0.720 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.904 0.268 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.881 -2.068 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.787 -1.211 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.213 -2.168 9.146 1.00 0.00 H new ATOM 588 N GLU A 161 0.113 -2.203 6.313 1.00 0.00 N ATOM 589 CA GLU A 161 0.375 -3.620 6.504 1.00 0.00 C ATOM 590 C GLU A 161 0.529 -4.289 5.147 1.00 0.00 C ATOM 591 O GLU A 161 1.360 -5.180 4.968 1.00 0.00 O ATOM 592 CB GLU A 161 -0.759 -4.275 7.294 1.00 0.00 C ATOM 593 CG GLU A 161 -0.892 -3.754 8.716 1.00 0.00 C ATOM 594 CD GLU A 161 0.225 -4.238 9.620 1.00 0.00 C ATOM 595 OE1 GLU A 161 1.280 -4.650 9.093 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.046 -4.206 10.856 1.00 0.00 O ATOM 0 H GLU A 161 -0.805 -1.896 6.634 1.00 0.00 H new ATOM 0 HA GLU A 161 1.297 -3.740 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.699 -4.112 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.594 -5.352 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.896 -2.664 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.851 -4.071 9.127 1.00 0.00 H new ATOM 603 N ASP A 162 -0.269 -3.833 4.184 1.00 0.00 N ATOM 604 CA ASP A 162 -0.214 -4.365 2.829 1.00 0.00 C ATOM 605 C ASP A 162 1.155 -4.087 2.221 1.00 0.00 C ATOM 606 O ASP A 162 1.801 -4.979 1.671 1.00 0.00 O ATOM 607 CB ASP A 162 -1.310 -3.738 1.967 1.00 0.00 C ATOM 608 CG ASP A 162 -2.617 -4.500 2.041 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.598 -5.733 1.846 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.661 -3.862 2.295 1.00 0.00 O ATOM 0 H ASP A 162 -0.961 -3.096 4.319 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.376 -5.442 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.475 -2.709 2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.974 -3.699 0.931 1.00 0.00 H new ATOM 615 N ILE A 163 1.593 -2.838 2.345 1.00 0.00 N ATOM 616 CA ILE A 163 2.894 -2.416 1.833 1.00 0.00 C ATOM 617 C ILE A 163 3.994 -3.331 2.357 1.00 0.00 C ATOM 618 O ILE A 163 4.773 -3.892 1.586 1.00 0.00 O ATOM 619 CB ILE A 163 3.228 -0.969 2.256 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.079 -0.023 1.911 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.524 -0.501 1.599 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.821 0.082 0.433 1.00 0.00 C ATOM 0 H ILE A 163 1.062 -2.095 2.799 1.00 0.00 H new ATOM 0 HA ILE A 163 2.841 -2.470 0.746 1.00 0.00 H new ATOM 0 HB ILE A 163 3.367 -0.956 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.172 -0.367 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.302 0.968 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.741 0.521 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.342 -1.154 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.415 -0.535 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.993 0.769 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.715 0.455 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.567 -0.901 0.037 1.00 0.00 H new ATOM 634 N ASP A 164 4.045 -3.478 3.678 1.00 0.00 N ATOM 635 CA ASP A 164 5.042 -4.326 4.316 1.00 0.00 C ATOM 636 C ASP A 164 4.944 -5.754 3.791 1.00 0.00 C ATOM 637 O ASP A 164 5.957 -6.423 3.586 1.00 0.00 O ATOM 638 CB ASP A 164 4.859 -4.312 5.834 1.00 0.00 C ATOM 639 CG ASP A 164 5.974 -5.043 6.557 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.043 -4.435 6.769 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.776 -6.225 6.911 1.00 0.00 O ATOM 0 H ASP A 164 3.405 -3.019 4.327 1.00 0.00 H new ATOM 0 HA ASP A 164 6.030 -3.933 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.819 -3.280 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.903 -4.772 6.086 1.00 0.00 H new ATOM 646 N ALA A 165 3.716 -6.212 3.568 1.00 0.00 N ATOM 647 CA ALA A 165 3.484 -7.556 3.057 1.00 0.00 C ATOM 648 C ALA A 165 4.135 -7.729 1.692 1.00 0.00 C ATOM 649 O ALA A 165 4.701 -8.779 1.387 1.00 0.00 O ATOM 650 CB ALA A 165 1.992 -7.842 2.976 1.00 0.00 C ATOM 0 H ALA A 165 2.867 -5.671 3.734 1.00 0.00 H new ATOM 0 HA ALA A 165 3.936 -8.270 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.835 -8.850 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.551 -7.759 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.519 -7.122 2.308 1.00 0.00 H new ATOM 656 N TRP A 166 4.061 -6.682 0.875 1.00 0.00 N ATOM 657 CA TRP A 166 4.652 -6.704 -0.457 1.00 0.00 C ATOM 658 C TRP A 166 6.150 -6.963 -0.371 1.00 0.00 C ATOM 659 O TRP A 166 6.665 -7.916 -0.957 1.00 0.00 O ATOM 660 CB TRP A 166 4.399 -5.374 -1.163 1.00 0.00 C ATOM 661 CG TRP A 166 4.690 -5.409 -2.633 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.635 -4.682 -3.297 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.030 -6.208 -3.621 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.603 -4.977 -4.637 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.626 -5.912 -4.861 1.00 0.00 C ATOM 666 CE3 TRP A 166 2.995 -7.145 -3.579 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.222 -6.518 -6.046 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.593 -7.747 -4.756 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.206 -7.432 -5.976 1.00 0.00 C ATOM 0 H TRP A 166 3.596 -5.806 1.114 1.00 0.00 H new ATOM 0 HA TRP A 166 4.188 -7.509 -1.028 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.358 -5.086 -1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.013 -4.603 -0.698 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.310 -3.977 -2.835 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.207 -4.568 -5.349 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.517 -7.395 -2.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.693 -6.276 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.793 -8.472 -4.735 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.870 -7.920 -6.879 1.00 0.00 H new ATOM 680 N LEU A 167 6.840 -6.103 0.368 1.00 0.00 N ATOM 681 CA LEU A 167 8.281 -6.222 0.545 1.00 0.00 C ATOM 682 C LEU A 167 8.631 -7.483 1.328 1.00 0.00 C ATOM 683 O LEU A 167 9.669 -8.104 1.092 1.00 0.00 O ATOM 684 CB LEU A 167 8.823 -4.990 1.270 1.00 0.00 C ATOM 685 CG LEU A 167 8.451 -3.652 0.626 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.820 -2.720 1.650 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.673 -3.005 -0.008 1.00 0.00 C ATOM 0 H LEU A 167 6.422 -5.311 0.857 1.00 0.00 H new ATOM 0 HA LEU A 167 8.742 -6.291 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.455 -4.998 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.909 -5.064 1.320 1.00 0.00 H new ATOM 0 HG LEU A 167 7.719 -3.842 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.563 -1.775 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.918 -3.180 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.527 -2.537 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.388 -2.055 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.430 -2.830 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.078 -3.665 -0.775 1.00 0.00 H new ATOM 699 N ALA A 168 7.761 -7.855 2.260 1.00 0.00 N ATOM 700 CA ALA A 168 7.979 -9.041 3.079 1.00 0.00 C ATOM 701 C ALA A 168 7.729 -10.317 2.281 1.00 0.00 C ATOM 702 O ALA A 168 8.271 -11.375 2.599 1.00 0.00 O ATOM 703 CB ALA A 168 7.086 -9.002 4.310 1.00 0.00 C ATOM 0 H ALA A 168 6.898 -7.352 2.467 1.00 0.00 H new ATOM 0 HA ALA A 168 9.021 -9.044 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.259 -9.893 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.317 -8.115 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.041 -8.970 4.001 1.00 0.00 H new