USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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+ -140:sc= -0.0329 (180deg=-1.64!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= 0.154 (180deg=-0.0869) USER MOD Single : A 150 GLN : amide:sc= -0.031 X(o=-0.031,f=0) 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 :FLIP amide:sc= -0.0103 F(o=-0.69,f=-0.01) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.097 3.403 -4.868 1.00 0.00 N ATOM 82 CA ILE A 130 -5.919 3.556 -3.676 1.00 0.00 C ATOM 83 C ILE A 130 -5.126 3.205 -2.426 1.00 0.00 C ATOM 84 O ILE A 130 -4.752 2.051 -2.216 1.00 0.00 O ATOM 85 CB ILE A 130 -7.183 2.677 -3.744 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.957 2.974 -5.026 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.065 2.908 -2.523 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.629 2.034 -6.165 1.00 0.00 C ATOM 0 HA ILE A 130 -6.225 4.601 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.880 1.630 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.025 2.918 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.747 3.997 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.952 2.278 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.509 2.656 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.366 3.955 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.217 2.306 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.568 2.107 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.866 1.011 -5.872 1.00 0.00 H new ATOM 100 N ALA A 131 -4.869 4.211 -1.601 1.00 0.00 N ATOM 101 CA ALA A 131 -4.116 4.017 -0.369 1.00 0.00 C ATOM 102 C ALA A 131 -4.184 5.254 0.519 1.00 0.00 C ATOM 103 O ALA A 131 -4.305 6.377 0.030 1.00 0.00 O ATOM 104 CB ALA A 131 -2.668 3.673 -0.687 1.00 0.00 C ATOM 0 H ALA A 131 -5.172 5.172 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.566 3.187 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.116 3.530 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.633 2.756 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.217 4.486 -1.256 1.00 0.00 H new ATOM 110 N MET A 132 -4.101 5.038 1.826 1.00 0.00 N ATOM 111 CA MET A 132 -4.148 6.132 2.788 1.00 0.00 C ATOM 112 C MET A 132 -3.038 7.144 2.510 1.00 0.00 C ATOM 113 O MET A 132 -2.032 6.814 1.884 1.00 0.00 O ATOM 114 CB MET A 132 -4.018 5.583 4.211 1.00 0.00 C ATOM 115 CG MET A 132 -5.327 5.572 4.982 1.00 0.00 C ATOM 116 SD MET A 132 -5.243 4.567 6.477 1.00 0.00 S ATOM 117 CE MET A 132 -4.834 5.811 7.698 1.00 0.00 C ATOM 0 H MET A 132 -4.001 4.113 2.245 1.00 0.00 H new ATOM 0 HA MET A 132 -5.107 6.640 2.688 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.625 4.567 4.165 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.290 6.182 4.757 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.595 6.594 5.250 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.121 5.193 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.747 5.343 8.679 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.886 6.281 7.435 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.619 6.567 7.724 1.00 0.00 H new ATOM 127 N PRO A 133 -3.205 8.393 2.977 1.00 0.00 N ATOM 128 CA PRO A 133 -2.209 9.448 2.777 1.00 0.00 C ATOM 129 C PRO A 133 -0.840 9.058 3.323 1.00 0.00 C ATOM 130 O PRO A 133 0.189 9.544 2.856 1.00 0.00 O ATOM 131 CB PRO A 133 -2.776 10.646 3.554 1.00 0.00 C ATOM 132 CG PRO A 133 -3.823 10.076 4.451 1.00 0.00 C ATOM 133 CD PRO A 133 -4.367 8.874 3.737 1.00 0.00 C ATOM 0 HA PRO A 133 -2.049 9.656 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.996 11.146 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.200 11.388 2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.401 9.799 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.610 10.805 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.734 8.121 4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.199 9.134 3.082 1.00 0.00 H new ATOM 141 N SER A 134 -0.837 8.173 4.316 1.00 0.00 N ATOM 142 CA SER A 134 0.404 7.713 4.926 1.00 0.00 C ATOM 143 C SER A 134 0.927 6.463 4.223 1.00 0.00 C ATOM 144 O SER A 134 2.131 6.209 4.205 1.00 0.00 O ATOM 145 CB SER A 134 0.189 7.425 6.413 1.00 0.00 C ATOM 146 OG SER A 134 1.321 7.803 7.175 1.00 0.00 O ATOM 0 H SER A 134 -1.681 7.761 4.714 1.00 0.00 H new ATOM 0 HA SER A 134 1.147 8.504 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.689 7.965 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.011 6.363 6.556 1.00 0.00 H new ATOM 0 HG SER A 134 1.157 7.610 8.122 1.00 0.00 H new ATOM 152 N VAL A 135 0.014 5.684 3.648 1.00 0.00 N ATOM 153 CA VAL A 135 0.389 4.462 2.948 1.00 0.00 C ATOM 154 C VAL A 135 1.126 4.766 1.658 1.00 0.00 C ATOM 155 O VAL A 135 2.204 4.234 1.409 1.00 0.00 O ATOM 156 CB VAL A 135 -0.838 3.596 2.620 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.427 2.338 1.863 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.581 3.243 3.891 1.00 0.00 C ATOM 0 H VAL A 135 -0.987 5.878 3.654 1.00 0.00 H new ATOM 0 HA VAL A 135 1.047 3.913 3.622 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.506 4.169 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.312 1.741 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.064 2.618 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.261 1.754 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.448 2.629 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.920 2.688 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.911 4.157 4.386 1.00 0.00 H new ATOM 168 N ARG A 136 0.541 5.623 0.838 1.00 0.00 N ATOM 169 CA ARG A 136 1.156 5.986 -0.429 1.00 0.00 C ATOM 170 C ARG A 136 2.572 6.495 -0.188 1.00 0.00 C ATOM 171 O ARG A 136 3.457 6.324 -1.024 1.00 0.00 O ATOM 172 CB ARG A 136 0.328 7.057 -1.139 1.00 0.00 C ATOM 173 CG ARG A 136 -0.938 6.519 -1.786 1.00 0.00 C ATOM 174 CD ARG A 136 -1.739 7.627 -2.451 1.00 0.00 C ATOM 175 NE ARG A 136 -3.171 7.343 -2.454 1.00 0.00 N ATOM 176 CZ ARG A 136 -4.070 8.061 -3.123 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.689 9.107 -3.845 1.00 0.00 N ATOM 178 NH2 ARG A 136 -5.354 7.732 -3.070 1.00 0.00 N ATOM 0 H ARG A 136 -0.353 6.078 1.024 1.00 0.00 H new ATOM 0 HA ARG A 136 1.196 5.102 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.058 7.831 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.943 7.532 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.676 5.763 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.552 6.027 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.557 8.567 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.394 7.758 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.503 6.546 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.703 9.364 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.382 9.654 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.652 6.929 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.043 8.282 -3.583 1.00 0.00 H new ATOM 192 N LYS A 137 2.778 7.098 0.977 1.00 0.00 N ATOM 193 CA LYS A 137 4.083 7.613 1.358 1.00 0.00 C ATOM 194 C LYS A 137 4.985 6.476 1.812 1.00 0.00 C ATOM 195 O LYS A 137 6.172 6.437 1.489 1.00 0.00 O ATOM 196 CB LYS A 137 3.941 8.650 2.474 1.00 0.00 C ATOM 197 CG LYS A 137 5.269 9.226 2.944 1.00 0.00 C ATOM 198 CD LYS A 137 5.459 9.044 4.441 1.00 0.00 C ATOM 199 CE LYS A 137 6.705 9.763 4.936 1.00 0.00 C ATOM 200 NZ LYS A 137 7.888 8.857 4.989 1.00 0.00 N ATOM 0 H LYS A 137 2.050 7.242 1.677 1.00 0.00 H new ATOM 0 HA LYS A 137 4.533 8.094 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.305 9.463 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.433 8.191 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.086 8.740 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.314 10.287 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.584 9.424 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.534 7.982 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.923 10.605 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.517 10.173 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.440 9.057 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.567 7.868 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 8.483 9.013 4.150 1.00 0.00 H new ATOM 214 N TYR A 138 4.407 5.553 2.576 1.00 0.00 N ATOM 215 CA TYR A 138 5.151 4.416 3.093 1.00 0.00 C ATOM 216 C TYR A 138 5.612 3.508 1.960 1.00 0.00 C ATOM 217 O TYR A 138 6.782 3.137 1.890 1.00 0.00 O ATOM 218 CB TYR A 138 4.275 3.629 4.059 1.00 0.00 C ATOM 219 CG TYR A 138 4.940 2.378 4.576 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.119 2.447 5.307 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.398 1.129 4.319 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.735 1.302 5.771 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.006 -0.017 4.778 1.00 0.00 C ATOM 224 CZ TYR A 138 6.175 0.072 5.504 1.00 0.00 C ATOM 225 OH TYR A 138 6.785 -1.072 5.964 1.00 0.00 O ATOM 0 H TYR A 138 3.424 5.573 2.849 1.00 0.00 H new ATOM 0 HA TYR A 138 6.032 4.788 3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.010 4.267 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.345 3.359 3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.560 3.410 5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.484 1.054 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.650 1.370 6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.569 -0.983 4.570 1.00 0.00 H new ATOM 0 HH TYR A 138 6.262 -1.854 5.691 1.00 0.00 H new ATOM 235 N ALA A 139 4.696 3.180 1.059 1.00 0.00 N ATOM 236 CA ALA A 139 5.024 2.350 -0.085 1.00 0.00 C ATOM 237 C ALA A 139 5.985 3.109 -0.977 1.00 0.00 C ATOM 238 O ALA A 139 7.002 2.583 -1.412 1.00 0.00 O ATOM 239 CB ALA A 139 3.769 1.971 -0.856 1.00 0.00 C ATOM 0 H ALA A 139 3.721 3.477 1.101 1.00 0.00 H new ATOM 0 HA ALA A 139 5.491 1.427 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.040 1.349 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.094 1.418 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.272 2.875 -1.209 1.00 0.00 H new ATOM 245 N ARG A 140 5.662 4.370 -1.221 1.00 0.00 N ATOM 246 CA ARG A 140 6.503 5.225 -2.041 1.00 0.00 C ATOM 247 C ARG A 140 7.928 5.241 -1.495 1.00 0.00 C ATOM 248 O ARG A 140 8.894 5.362 -2.249 1.00 0.00 O ATOM 249 CB ARG A 140 5.927 6.640 -2.064 1.00 0.00 C ATOM 250 CG ARG A 140 6.776 7.640 -2.830 1.00 0.00 C ATOM 251 CD ARG A 140 5.925 8.493 -3.755 1.00 0.00 C ATOM 252 NE ARG A 140 6.057 9.918 -3.462 1.00 0.00 N ATOM 253 CZ ARG A 140 5.327 10.866 -4.045 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.415 10.545 -4.955 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.509 12.138 -3.719 1.00 0.00 N ATOM 0 H ARG A 140 4.822 4.823 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 140 6.528 4.835 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.932 6.609 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.808 6.990 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.308 8.281 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.530 7.110 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.216 8.307 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 140 4.880 8.199 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 140 6.750 10.203 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.271 9.568 -5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.858 11.275 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.209 12.391 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.949 12.864 -4.166 1.00 0.00 H new ATOM 269 N GLU A 141 8.047 5.111 -0.177 1.00 0.00 N ATOM 270 CA GLU A 141 9.343 5.100 0.484 1.00 0.00 C ATOM 271 C GLU A 141 9.960 3.707 0.468 1.00 0.00 C ATOM 272 O GLU A 141 11.173 3.553 0.323 1.00 0.00 O ATOM 273 CB GLU A 141 9.197 5.581 1.926 1.00 0.00 C ATOM 274 CG GLU A 141 9.027 7.084 2.057 1.00 0.00 C ATOM 275 CD GLU A 141 10.332 7.795 2.355 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.159 7.230 3.101 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.527 8.918 1.843 1.00 0.00 O ATOM 0 H GLU A 141 7.254 5.011 0.456 1.00 0.00 H new ATOM 0 HA GLU A 141 10.004 5.773 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.337 5.087 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.076 5.274 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.605 7.480 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.312 7.297 2.852 1.00 0.00 H new ATOM 284 N LYS A 142 9.118 2.696 0.642 1.00 0.00 N ATOM 285 CA LYS A 142 9.569 1.313 0.675 1.00 0.00 C ATOM 286 C LYS A 142 9.711 0.728 -0.731 1.00 0.00 C ATOM 287 O LYS A 142 9.580 -0.482 -0.915 1.00 0.00 O ATOM 288 CB LYS A 142 8.570 0.476 1.478 1.00 0.00 C ATOM 289 CG LYS A 142 8.590 0.692 2.993 1.00 0.00 C ATOM 290 CD LYS A 142 9.519 1.816 3.436 1.00 0.00 C ATOM 291 CE LYS A 142 10.946 1.327 3.607 1.00 0.00 C ATOM 292 NZ LYS A 142 11.938 2.327 3.123 1.00 0.00 N ATOM 0 H LYS A 142 8.112 2.811 0.763 1.00 0.00 H new ATOM 0 HA LYS A 142 10.551 1.289 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.566 0.692 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.763 -0.578 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.578 0.912 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.896 -0.234 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.495 2.620 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.162 2.234 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.132 1.111 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.077 0.392 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.855 1.860 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.606 2.741 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.047 3.079 3.833 1.00 0.00 H new ATOM 306 N GLY A 143 9.963 1.580 -1.725 1.00 0.00 N ATOM 307 CA GLY A 143 10.095 1.093 -3.092 1.00 0.00 C ATOM 308 C GLY A 143 8.890 0.274 -3.521 1.00 0.00 C ATOM 309 O GLY A 143 8.972 -0.552 -4.430 1.00 0.00 O ATOM 0 H GLY A 143 10.077 2.587 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.218 1.939 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.996 0.485 -3.175 1.00 0.00 H new ATOM 313 N VAL A 144 7.771 0.511 -2.846 1.00 0.00 N ATOM 314 CA VAL A 144 6.521 -0.185 -3.115 1.00 0.00 C ATOM 315 C VAL A 144 5.510 0.738 -3.779 1.00 0.00 C ATOM 316 O VAL A 144 5.342 1.889 -3.373 1.00 0.00 O ATOM 317 CB VAL A 144 5.899 -0.702 -1.805 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.612 -1.462 -2.079 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.888 -1.565 -1.041 1.00 0.00 C ATOM 0 H VAL A 144 7.707 1.196 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 144 6.754 -1.016 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 144 5.654 0.160 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.192 -1.817 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.897 -0.802 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.823 -2.313 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.426 -1.919 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.175 -2.419 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.774 -0.977 -0.801 1.00 0.00 H new ATOM 329 N ASP A 145 4.815 0.216 -4.774 1.00 0.00 N ATOM 330 CA ASP A 145 3.792 0.970 -5.467 1.00 0.00 C ATOM 331 C ASP A 145 2.449 0.298 -5.233 1.00 0.00 C ATOM 332 O ASP A 145 2.307 -0.904 -5.441 1.00 0.00 O ATOM 333 CB ASP A 145 4.099 1.058 -6.965 1.00 0.00 C ATOM 334 CG ASP A 145 3.095 1.915 -7.713 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.025 2.214 -7.142 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.381 2.287 -8.871 1.00 0.00 O ATOM 0 H ASP A 145 4.944 -0.735 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 145 3.766 1.988 -5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.099 1.469 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.105 0.055 -7.391 1.00 0.00 H new ATOM 341 N ILE A 146 1.473 1.068 -4.777 1.00 0.00 N ATOM 342 CA ILE A 146 0.147 0.530 -4.496 1.00 0.00 C ATOM 343 C ILE A 146 -0.358 -0.348 -5.644 1.00 0.00 C ATOM 344 O ILE A 146 -1.168 -1.252 -5.435 1.00 0.00 O ATOM 345 CB ILE A 146 -0.872 1.657 -4.237 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.331 2.650 -3.202 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.200 1.081 -3.767 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.066 2.029 -1.847 1.00 0.00 C ATOM 0 H ILE A 146 1.572 2.066 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 146 0.242 -0.081 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.035 2.188 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.594 3.087 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.045 3.465 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.906 1.892 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.598 0.414 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.048 0.524 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.315 2.790 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.993 1.616 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.671 1.233 -1.950 1.00 0.00 H new ATOM 360 N ARG A 147 0.131 -0.086 -6.854 1.00 0.00 N ATOM 361 CA ARG A 147 -0.275 -0.860 -8.025 1.00 0.00 C ATOM 362 C ARG A 147 0.135 -2.319 -7.871 1.00 0.00 C ATOM 363 O ARG A 147 -0.581 -3.229 -8.290 1.00 0.00 O ATOM 364 CB ARG A 147 0.345 -0.273 -9.294 1.00 0.00 C ATOM 365 CG ARG A 147 -0.489 0.833 -9.923 1.00 0.00 C ATOM 366 CD ARG A 147 0.353 1.724 -10.822 1.00 0.00 C ATOM 367 NE ARG A 147 0.041 3.139 -10.636 1.00 0.00 N ATOM 368 CZ ARG A 147 0.385 4.095 -11.497 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.050 3.792 -12.605 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.062 5.357 -11.249 1.00 0.00 N ATOM 0 H ARG A 147 0.806 0.653 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.361 -0.810 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.334 0.119 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.484 -1.071 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.301 0.393 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.947 1.435 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.409 1.555 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.186 1.450 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.471 3.411 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.300 2.823 -12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.311 4.528 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.450 5.595 -10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.325 6.090 -11.908 1.00 0.00 H new ATOM 384 N LEU A 148 1.291 -2.524 -7.260 1.00 0.00 N ATOM 385 CA LEU A 148 1.823 -3.856 -7.028 1.00 0.00 C ATOM 386 C LEU A 148 1.309 -4.426 -5.707 1.00 0.00 C ATOM 387 O LEU A 148 1.572 -5.581 -5.377 1.00 0.00 O ATOM 388 CB LEU A 148 3.353 -3.808 -7.005 1.00 0.00 C ATOM 389 CG LEU A 148 3.975 -2.628 -7.755 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.484 -2.623 -7.599 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.591 -2.667 -9.225 1.00 0.00 C ATOM 0 H LEU A 148 1.886 -1.772 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 148 1.489 -4.503 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.685 -3.775 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.737 -4.734 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 148 3.586 -1.707 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.903 -1.775 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.740 -2.541 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.894 -3.549 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.043 -1.820 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.948 -3.596 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.506 -2.613 -9.319 1.00 0.00 H new ATOM 403 N VAL A 149 0.587 -3.605 -4.946 1.00 0.00 N ATOM 404 CA VAL A 149 0.058 -4.032 -3.658 1.00 0.00 C ATOM 405 C VAL A 149 -1.465 -4.059 -3.661 1.00 0.00 C ATOM 406 O VAL A 149 -2.115 -3.027 -3.828 1.00 0.00 O ATOM 407 CB VAL A 149 0.542 -3.106 -2.522 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.390 -3.788 -1.172 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.988 -2.682 -2.752 1.00 0.00 C ATOM 0 H VAL A 149 0.357 -2.644 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 149 0.431 -5.042 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.080 -2.211 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.737 -3.118 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.659 -4.033 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.983 -4.703 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.309 -2.030 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.626 -3.565 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.064 -2.147 -3.699 1.00 0.00 H new ATOM 419 N GLN A 150 -2.027 -5.247 -3.469 1.00 0.00 N ATOM 420 CA GLN A 150 -3.474 -5.414 -3.441 1.00 0.00 C ATOM 421 C GLN A 150 -4.033 -5.001 -2.084 1.00 0.00 C ATOM 422 O GLN A 150 -3.919 -5.739 -1.105 1.00 0.00 O ATOM 423 CB GLN A 150 -3.844 -6.868 -3.744 1.00 0.00 C ATOM 424 CG GLN A 150 -4.871 -7.013 -4.854 1.00 0.00 C ATOM 425 CD GLN A 150 -4.864 -8.395 -5.477 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.872 -8.537 -6.700 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.850 -9.424 -4.638 1.00 0.00 N ATOM 0 H GLN A 150 -1.501 -6.110 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.911 -4.772 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.942 -7.414 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.232 -7.332 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.864 -6.803 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.674 -6.269 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.844 -9.261 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.845 -10.377 -5.000 1.00 0.00 H new ATOM 436 N GLY A 151 -4.630 -3.815 -2.028 1.00 0.00 N ATOM 437 CA GLY A 151 -5.186 -3.326 -0.783 1.00 0.00 C ATOM 438 C GLY A 151 -6.571 -3.870 -0.502 1.00 0.00 C ATOM 439 O GLY A 151 -7.366 -4.070 -1.420 1.00 0.00 O ATOM 0 H GLY A 151 -4.738 -3.185 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.521 -3.597 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.228 -2.237 -0.813 1.00 0.00 H new ATOM 443 N THR A 152 -6.859 -4.108 0.774 1.00 0.00 N ATOM 444 CA THR A 152 -8.157 -4.626 1.186 1.00 0.00 C ATOM 445 C THR A 152 -8.867 -3.634 2.108 1.00 0.00 C ATOM 446 O THR A 152 -9.694 -4.022 2.933 1.00 0.00 O ATOM 447 CB THR A 152 -7.989 -5.971 1.895 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.684 -6.094 2.434 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.223 -7.158 0.985 1.00 0.00 C ATOM 0 H THR A 152 -6.207 -3.949 1.542 1.00 0.00 H new ATOM 0 HA THR A 152 -8.767 -4.768 0.294 1.00 0.00 H new ATOM 0 HB THR A 152 -8.744 -5.981 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.597 -6.960 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.088 -8.081 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.238 -7.119 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.511 -7.130 0.160 1.00 0.00 H new ATOM 457 N GLY A 153 -8.531 -2.355 1.966 1.00 0.00 N ATOM 458 CA GLY A 153 -9.134 -1.329 2.797 1.00 0.00 C ATOM 459 C GLY A 153 -10.505 -0.902 2.308 1.00 0.00 C ATOM 460 O GLY A 153 -10.620 -0.031 1.447 1.00 0.00 O ATOM 0 H GLY A 153 -7.850 -2.011 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.218 -1.699 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.477 -0.460 2.826 1.00 0.00 H new ATOM 464 N LYS A 154 -11.543 -1.512 2.869 1.00 0.00 N ATOM 465 CA LYS A 154 -12.919 -1.192 2.501 1.00 0.00 C ATOM 466 C LYS A 154 -13.176 -1.459 1.018 1.00 0.00 C ATOM 467 O LYS A 154 -13.758 -2.482 0.657 1.00 0.00 O ATOM 468 CB LYS A 154 -13.232 0.268 2.841 1.00 0.00 C ATOM 469 CG LYS A 154 -14.700 0.628 2.674 1.00 0.00 C ATOM 470 CD LYS A 154 -15.297 1.156 3.969 1.00 0.00 C ATOM 471 CE LYS A 154 -14.817 2.567 4.269 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.591 3.195 5.375 1.00 0.00 N ATOM 0 H LYS A 154 -11.458 -2.235 3.584 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.580 -1.841 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.932 0.465 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.632 0.918 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.804 1.380 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -15.256 -0.251 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -16.385 1.148 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.025 0.495 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.760 2.542 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.906 3.179 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.232 4.156 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.596 3.243 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.486 2.626 6.239 1.00 0.00 H new ATOM 486 N ASN A 155 -12.747 -0.535 0.162 1.00 0.00 N ATOM 487 CA ASN A 155 -12.938 -0.680 -1.278 1.00 0.00 C ATOM 488 C ASN A 155 -11.681 -1.229 -1.945 1.00 0.00 C ATOM 489 O ASN A 155 -11.432 -0.974 -3.124 1.00 0.00 O ATOM 490 CB ASN A 155 -13.313 0.665 -1.901 1.00 0.00 C ATOM 491 CG ASN A 155 -14.784 0.992 -1.733 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.125 1.624 -0.616 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -15.604 0.679 -2.596 1.00 0.00 N flip ATOM 0 H ASN A 155 -12.266 0.320 0.440 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.750 -1.389 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.714 1.453 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.066 0.652 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.297 0.194 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -16.590 0.905 -2.468 1.00 0.00 H new ATOM 500 N GLY A 156 -10.893 -1.983 -1.187 1.00 0.00 N ATOM 501 CA GLY A 156 -9.674 -2.555 -1.727 1.00 0.00 C ATOM 502 C GLY A 156 -8.492 -1.609 -1.632 1.00 0.00 C ATOM 503 O GLY A 156 -7.551 -1.700 -2.421 1.00 0.00 O ATOM 0 H GLY A 156 -11.076 -2.208 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.441 -3.476 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.835 -2.825 -2.771 1.00 0.00 H new ATOM 507 N ARG A 157 -8.538 -0.699 -0.665 1.00 0.00 N ATOM 508 CA ARG A 157 -7.462 0.267 -0.471 1.00 0.00 C ATOM 509 C ARG A 157 -6.272 -0.374 0.234 1.00 0.00 C ATOM 510 O ARG A 157 -6.440 -1.198 1.132 1.00 0.00 O ATOM 511 CB ARG A 157 -7.970 1.464 0.336 1.00 0.00 C ATOM 512 CG ARG A 157 -6.921 2.539 0.561 1.00 0.00 C ATOM 513 CD ARG A 157 -7.556 3.877 0.901 1.00 0.00 C ATOM 514 NE ARG A 157 -8.654 3.739 1.855 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.487 3.447 3.143 1.00 0.00 C ATOM 516 NH1 ARG A 157 -7.268 3.263 3.635 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.540 3.340 3.942 1.00 0.00 N ATOM 0 H ARG A 157 -9.309 -0.610 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.132 0.611 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.823 1.904 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.330 1.112 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.256 2.235 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.308 2.643 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.798 4.542 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.926 4.344 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.606 3.875 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.454 3.345 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.145 3.039 4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.479 3.481 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.411 3.116 4.929 1.00 0.00 H new ATOM 531 N VAL A 158 -5.067 0.003 -0.185 1.00 0.00 N ATOM 532 CA VAL A 158 -3.852 -0.546 0.404 1.00 0.00 C ATOM 533 C VAL A 158 -3.572 0.055 1.775 1.00 0.00 C ATOM 534 O VAL A 158 -3.625 1.270 1.962 1.00 0.00 O ATOM 535 CB VAL A 158 -2.623 -0.321 -0.506 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.325 -0.613 0.239 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.714 -1.187 -1.749 1.00 0.00 C ATOM 0 H VAL A 158 -4.907 0.684 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.022 -1.617 0.512 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.619 0.727 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.478 -0.446 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.244 0.048 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.324 -1.650 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.840 -1.015 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.751 -2.237 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.616 -0.932 -2.305 1.00 0.00 H new ATOM 547 N LEU A 159 -3.254 -0.817 2.721 1.00 0.00 N ATOM 548 CA LEU A 159 -2.936 -0.403 4.078 1.00 0.00 C ATOM 549 C LEU A 159 -1.438 -0.530 4.315 1.00 0.00 C ATOM 550 O LEU A 159 -0.751 -1.244 3.586 1.00 0.00 O ATOM 551 CB LEU A 159 -3.699 -1.270 5.082 1.00 0.00 C ATOM 552 CG LEU A 159 -5.225 -1.146 5.027 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.855 -1.740 6.278 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.646 0.307 4.858 1.00 0.00 C ATOM 0 H LEU A 159 -3.210 -1.825 2.570 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.233 0.637 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.429 -2.313 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.366 -1.012 6.087 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.579 -1.706 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.939 -1.643 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.589 -2.794 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.489 -1.209 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.734 0.369 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.277 0.893 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.229 0.701 3.931 1.00 0.00 H new ATOM 566 N LYS A 160 -0.922 0.149 5.332 1.00 0.00 N ATOM 567 CA LYS A 160 0.502 0.069 5.626 1.00 0.00 C ATOM 568 C LYS A 160 0.902 -1.386 5.834 1.00 0.00 C ATOM 569 O LYS A 160 2.013 -1.793 5.494 1.00 0.00 O ATOM 570 CB LYS A 160 0.860 0.900 6.859 1.00 0.00 C ATOM 571 CG LYS A 160 2.357 1.097 7.041 1.00 0.00 C ATOM 572 CD LYS A 160 2.760 0.995 8.504 1.00 0.00 C ATOM 573 CE LYS A 160 4.001 1.823 8.801 1.00 0.00 C ATOM 574 NZ LYS A 160 3.703 2.963 9.713 1.00 0.00 N ATOM 0 H LYS A 160 -1.458 0.751 5.957 1.00 0.00 H new ATOM 0 HA LYS A 160 1.052 0.477 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.379 1.875 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.455 0.413 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.897 0.348 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.647 2.072 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 160 1.937 1.333 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.948 -0.048 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.763 1.187 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.416 2.204 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.574 3.502 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.995 3.584 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.331 2.599 10.614 1.00 0.00 H new ATOM 588 N GLU A 161 -0.028 -2.173 6.370 1.00 0.00 N ATOM 589 CA GLU A 161 0.214 -3.590 6.590 1.00 0.00 C ATOM 590 C GLU A 161 0.390 -4.282 5.247 1.00 0.00 C ATOM 591 O GLU A 161 1.214 -5.185 5.099 1.00 0.00 O ATOM 592 CB GLU A 161 -0.946 -4.221 7.362 1.00 0.00 C ATOM 593 CG GLU A 161 -1.374 -3.420 8.580 1.00 0.00 C ATOM 594 CD GLU A 161 -1.894 -4.297 9.701 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.487 -5.476 9.771 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.709 -3.806 10.511 1.00 0.00 O ATOM 0 H GLU A 161 -0.952 -1.851 6.658 1.00 0.00 H new ATOM 0 HA GLU A 161 1.120 -3.710 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.799 -4.332 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.658 -5.223 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.527 -2.837 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.149 -2.710 8.290 1.00 0.00 H new ATOM 603 N ASP A 162 -0.380 -3.827 4.261 1.00 0.00 N ATOM 604 CA ASP A 162 -0.302 -4.376 2.914 1.00 0.00 C ATOM 605 C ASP A 162 1.074 -4.099 2.323 1.00 0.00 C ATOM 606 O ASP A 162 1.734 -4.995 1.797 1.00 0.00 O ATOM 607 CB ASP A 162 -1.384 -3.759 2.027 1.00 0.00 C ATOM 608 CG ASP A 162 -2.707 -4.491 2.126 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.711 -5.733 1.993 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.739 -3.821 2.337 1.00 0.00 O ATOM 0 H ASP A 162 -1.065 -3.079 4.372 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.461 -5.453 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.528 -2.716 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.046 -3.765 0.991 1.00 0.00 H new ATOM 615 N ILE A 163 1.501 -2.846 2.434 1.00 0.00 N ATOM 616 CA ILE A 163 2.806 -2.420 1.932 1.00 0.00 C ATOM 617 C ILE A 163 3.914 -3.316 2.477 1.00 0.00 C ATOM 618 O ILE A 163 4.727 -3.847 1.722 1.00 0.00 O ATOM 619 CB ILE A 163 3.119 -0.966 2.342 1.00 0.00 C ATOM 620 CG1 ILE A 163 1.973 -0.036 1.951 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.427 -0.499 1.711 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.695 -0.033 0.473 1.00 0.00 C ATOM 0 H ILE A 163 0.959 -2.101 2.871 1.00 0.00 H new ATOM 0 HA ILE A 163 2.765 -2.492 0.845 1.00 0.00 H new ATOM 0 HB ILE A 163 3.230 -0.934 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.071 -0.337 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.210 0.978 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.630 0.529 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.242 -1.142 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.345 -0.549 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.870 0.647 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.585 0.296 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.428 -1.040 0.151 1.00 0.00 H new ATOM 634 N ASP A 164 3.937 -3.472 3.796 1.00 0.00 N ATOM 635 CA ASP A 164 4.944 -4.297 4.450 1.00 0.00 C ATOM 636 C ASP A 164 4.902 -5.730 3.923 1.00 0.00 C ATOM 637 O ASP A 164 5.935 -6.310 3.590 1.00 0.00 O ATOM 638 CB ASP A 164 4.731 -4.293 5.965 1.00 0.00 C ATOM 639 CG ASP A 164 5.873 -4.956 6.711 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.002 -4.973 6.178 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.637 -5.460 7.829 1.00 0.00 O ATOM 0 H ASP A 164 3.269 -3.037 4.433 1.00 0.00 H new ATOM 0 HA ASP A 164 5.924 -3.875 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.623 -3.265 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.800 -4.808 6.200 1.00 0.00 H new ATOM 646 N ALA A 165 3.699 -6.292 3.851 1.00 0.00 N ATOM 647 CA ALA A 165 3.520 -7.656 3.365 1.00 0.00 C ATOM 648 C ALA A 165 4.050 -7.807 1.944 1.00 0.00 C ATOM 649 O ALA A 165 4.597 -8.848 1.581 1.00 0.00 O ATOM 650 CB ALA A 165 2.050 -8.048 3.426 1.00 0.00 C ATOM 0 H ALA A 165 2.834 -5.824 4.123 1.00 0.00 H new ATOM 0 HA ALA A 165 4.091 -8.323 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.930 -9.068 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.700 -7.988 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.466 -7.369 2.805 1.00 0.00 H new ATOM 656 N TRP A 166 3.889 -6.757 1.146 1.00 0.00 N ATOM 657 CA TRP A 166 4.352 -6.762 -0.233 1.00 0.00 C ATOM 658 C TRP A 166 5.860 -6.961 -0.287 1.00 0.00 C ATOM 659 O TRP A 166 6.354 -7.896 -0.918 1.00 0.00 O ATOM 660 CB TRP A 166 3.976 -5.440 -0.895 1.00 0.00 C ATOM 661 CG TRP A 166 4.221 -5.415 -2.368 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.428 -5.933 -3.348 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.343 -4.832 -3.026 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.996 -5.705 -4.580 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.173 -5.032 -4.406 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.474 -4.160 -2.577 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.097 -4.584 -5.343 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.394 -3.711 -3.506 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.200 -3.926 -4.877 1.00 0.00 C ATOM 0 H TRP A 166 3.439 -5.888 1.434 1.00 0.00 H new ATOM 0 HA TRP A 166 3.877 -7.586 -0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.922 -5.237 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.544 -4.635 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.492 -6.446 -3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.603 -5.991 -5.477 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.631 -3.992 -1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.949 -4.750 -6.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.276 -3.186 -3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.937 -3.565 -5.579 1.00 0.00 H new ATOM 680 N LEU A 167 6.582 -6.072 0.384 1.00 0.00 N ATOM 681 CA LEU A 167 8.040 -6.137 0.426 1.00 0.00 C ATOM 682 C LEU A 167 8.513 -7.500 0.921 1.00 0.00 C ATOM 683 O LEU A 167 9.565 -7.990 0.509 1.00 0.00 O ATOM 684 CB LEU A 167 8.590 -5.034 1.334 1.00 0.00 C ATOM 685 CG LEU A 167 8.340 -3.609 0.838 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.751 -2.747 1.944 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.623 -2.990 0.299 1.00 0.00 C ATOM 0 H LEU A 167 6.181 -5.295 0.909 1.00 0.00 H new ATOM 0 HA LEU A 167 8.415 -5.990 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.145 -5.142 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.664 -5.180 1.449 1.00 0.00 H new ATOM 0 HG LEU A 167 7.618 -3.657 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.582 -1.738 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.804 -3.175 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.444 -2.709 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.420 -1.977 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.373 -2.960 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.996 -3.590 -0.531 1.00 0.00 H new ATOM 699 N ALA A 168 7.727 -8.107 1.804 1.00 0.00 N ATOM 700 CA ALA A 168 8.065 -9.414 2.355 1.00 0.00 C ATOM 701 C ALA A 168 7.804 -10.524 1.342 1.00 0.00 C ATOM 702 O ALA A 168 8.415 -11.590 1.404 1.00 0.00 O ATOM 703 CB ALA A 168 7.275 -9.668 3.631 1.00 0.00 C ATOM 0 H ALA A 168 6.852 -7.715 2.153 1.00 0.00 H new ATOM 0 HA ALA A 168 9.129 -9.416 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.537 -10.647 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.514 -8.899 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.208 -9.640 3.410 1.00 0.00 H new