USER MOD reduce.3.24.130724 H: found=0, std=0, add=159, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 159 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.314 USER MOD Single : A 14 ASN : amide:sc= -0.765 K(o=-0.76,f=-2.5) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0592) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 128 N ARG A 10 6.235 -2.547 2.632 1.00 0.00 N ATOM 129 CA ARG A 10 7.065 -2.449 1.393 1.00 0.00 C ATOM 130 C ARG A 10 6.168 -2.672 0.175 1.00 0.00 C ATOM 131 O ARG A 10 5.326 -3.551 0.168 1.00 0.00 O ATOM 132 CB ARG A 10 8.171 -3.510 1.422 1.00 0.00 C ATOM 133 CG ARG A 10 7.569 -4.882 1.737 1.00 0.00 C ATOM 134 CD ARG A 10 8.585 -5.978 1.401 1.00 0.00 C ATOM 135 NE ARG A 10 8.498 -7.067 2.423 1.00 0.00 N ATOM 136 CZ ARG A 10 9.037 -6.933 3.619 1.00 0.00 C ATOM 137 NH1 ARG A 10 9.676 -5.839 3.967 1.00 0.00 N ATOM 138 NH2 ARG A 10 8.934 -7.910 4.476 1.00 0.00 N ATOM 0 HA ARG A 10 7.524 -1.462 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.683 -3.540 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.917 -3.250 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.295 -4.937 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.655 -5.030 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.387 -6.380 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.592 -5.562 1.382 1.00 0.00 H new ATOM 0 HE ARG A 10 8.011 -7.932 2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.764 -5.068 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.084 -5.761 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.441 -8.765 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.346 -7.819 5.405 1.00 0.00 H new ATOM 152 N CYS A 11 6.329 -1.874 -0.850 1.00 0.00 N ATOM 153 CA CYS A 11 5.470 -2.030 -2.064 1.00 0.00 C ATOM 154 C CYS A 11 6.218 -1.581 -3.316 1.00 0.00 C ATOM 155 O CYS A 11 7.360 -1.165 -3.266 1.00 0.00 O ATOM 156 CB CYS A 11 4.206 -1.170 -1.927 1.00 0.00 C ATOM 157 SG CYS A 11 4.637 0.500 -1.369 1.00 0.00 S ATOM 0 H CYS A 11 7.017 -1.122 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 11 5.205 -3.084 -2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.688 -1.118 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.519 -1.632 -1.218 1.00 0.00 H new ATOM 162 N SER A 12 5.553 -1.651 -4.437 1.00 0.00 N ATOM 163 CA SER A 12 6.168 -1.218 -5.724 1.00 0.00 C ATOM 164 C SER A 12 5.170 -0.344 -6.500 1.00 0.00 C ATOM 165 O SER A 12 5.369 -0.055 -7.665 1.00 0.00 O ATOM 166 CB SER A 12 6.525 -2.448 -6.558 1.00 0.00 C ATOM 167 OG SER A 12 7.868 -2.827 -6.285 1.00 0.00 O ATOM 0 H SER A 12 4.596 -1.995 -4.516 1.00 0.00 H new ATOM 0 HA SER A 12 7.072 -0.644 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.848 -3.270 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.405 -2.229 -7.619 1.00 0.00 H new ATOM 0 HG SER A 12 8.100 -3.617 -6.817 1.00 0.00 H new ATOM 173 N SER A 13 4.098 0.079 -5.865 1.00 0.00 N ATOM 174 CA SER A 13 3.087 0.929 -6.556 1.00 0.00 C ATOM 175 C SER A 13 1.957 1.247 -5.572 1.00 0.00 C ATOM 176 O SER A 13 1.844 0.635 -4.527 1.00 0.00 O ATOM 177 CB SER A 13 2.529 0.176 -7.764 1.00 0.00 C ATOM 178 OG SER A 13 1.315 0.786 -8.187 1.00 0.00 O ATOM 0 H SER A 13 3.884 -0.133 -4.890 1.00 0.00 H new ATOM 0 HA SER A 13 3.547 1.856 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.255 0.184 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.352 -0.868 -7.505 1.00 0.00 H new ATOM 0 HG SER A 13 0.959 0.304 -8.962 1.00 0.00 H new ATOM 184 N ASN A 14 1.126 2.202 -5.897 1.00 0.00 N ATOM 185 CA ASN A 14 0.004 2.572 -4.982 1.00 0.00 C ATOM 186 C ASN A 14 -0.933 1.375 -4.787 1.00 0.00 C ATOM 187 O ASN A 14 -1.424 1.136 -3.700 1.00 0.00 O ATOM 188 CB ASN A 14 -0.780 3.738 -5.587 1.00 0.00 C ATOM 189 CG ASN A 14 -0.217 5.060 -5.063 1.00 0.00 C ATOM 190 OD1 ASN A 14 0.978 5.198 -4.891 1.00 0.00 O ATOM 191 ND2 ASN A 14 -1.031 6.044 -4.801 1.00 0.00 N ATOM 0 H ASN A 14 1.176 2.744 -6.760 1.00 0.00 H new ATOM 0 HA ASN A 14 0.414 2.865 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.714 3.708 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.836 3.653 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.665 6.930 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.034 5.928 -4.945 1.00 0.00 H new ATOM 198 N ARG A 15 -1.192 0.631 -5.833 1.00 0.00 N ATOM 199 CA ARG A 15 -2.108 -0.545 -5.714 1.00 0.00 C ATOM 200 C ARG A 15 -1.442 -1.681 -4.929 1.00 0.00 C ATOM 201 O ARG A 15 -2.092 -2.638 -4.551 1.00 0.00 O ATOM 202 CB ARG A 15 -2.489 -1.033 -7.118 1.00 0.00 C ATOM 203 CG ARG A 15 -3.997 -0.870 -7.339 1.00 0.00 C ATOM 204 CD ARG A 15 -4.706 -2.190 -7.032 1.00 0.00 C ATOM 205 NE ARG A 15 -6.186 -1.992 -7.106 1.00 0.00 N ATOM 206 CZ ARG A 15 -6.852 -1.407 -6.130 1.00 0.00 C ATOM 207 NH1 ARG A 15 -6.247 -0.971 -5.049 1.00 0.00 N ATOM 208 NH2 ARG A 15 -8.144 -1.257 -6.240 1.00 0.00 N ATOM 0 H ARG A 15 -0.808 0.787 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.004 -0.239 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.940 -0.467 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.207 -2.079 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.385 -0.079 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.194 -0.571 -8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.395 -2.956 -7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.425 -2.543 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.692 -2.317 -7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.238 -1.081 -4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.786 -0.522 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.627 -1.591 -7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.671 -0.806 -5.492 1.00 0.00 H new ATOM 222 N ASP A 16 -0.164 -1.587 -4.678 1.00 0.00 N ATOM 223 CA ASP A 16 0.532 -2.659 -3.912 1.00 0.00 C ATOM 224 C ASP A 16 0.310 -2.464 -2.402 1.00 0.00 C ATOM 225 O ASP A 16 0.810 -3.229 -1.599 1.00 0.00 O ATOM 226 CB ASP A 16 2.031 -2.588 -4.216 1.00 0.00 C ATOM 227 CG ASP A 16 2.421 -3.712 -5.180 1.00 0.00 C ATOM 228 OD1 ASP A 16 1.609 -4.047 -6.027 1.00 0.00 O ATOM 229 OD2 ASP A 16 3.525 -4.217 -5.054 1.00 0.00 O ATOM 0 H ASP A 16 0.429 -0.811 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 16 0.132 -3.630 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.277 -1.620 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.603 -2.675 -3.292 1.00 0.00 H new ATOM 234 N CYS A 17 -0.417 -1.444 -2.008 1.00 0.00 N ATOM 235 CA CYS A 17 -0.645 -1.202 -0.554 1.00 0.00 C ATOM 236 C CYS A 17 -2.082 -1.563 -0.171 1.00 0.00 C ATOM 237 O CYS A 17 -2.905 -1.866 -1.014 1.00 0.00 O ATOM 238 CB CYS A 17 -0.391 0.272 -0.253 1.00 0.00 C ATOM 239 SG CYS A 17 1.355 0.645 -0.532 1.00 0.00 S ATOM 0 H CYS A 17 -0.860 -0.771 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 17 0.036 -1.826 0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.015 0.898 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.663 0.497 0.778 1.00 0.00 H new ATOM 244 N CYS A 18 -2.378 -1.542 1.105 1.00 0.00 N ATOM 245 CA CYS A 18 -3.737 -1.886 1.579 1.00 0.00 C ATOM 246 C CYS A 18 -4.608 -0.627 1.632 1.00 0.00 C ATOM 247 O CYS A 18 -4.201 0.439 1.209 1.00 0.00 O ATOM 248 CB CYS A 18 -3.610 -2.477 2.977 1.00 0.00 C ATOM 249 SG CYS A 18 -2.825 -4.106 2.885 1.00 0.00 S ATOM 0 H CYS A 18 -1.719 -1.296 1.843 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.202 -2.601 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.020 -1.814 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.595 -2.563 3.436 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.717 -4.604 4.081 1.00 0.00 H new ATOM 254 N GLU A 19 -5.804 -0.747 2.153 1.00 0.00 N ATOM 255 CA GLU A 19 -6.714 0.430 2.244 1.00 0.00 C ATOM 256 C GLU A 19 -6.103 1.479 3.169 1.00 0.00 C ATOM 257 O GLU A 19 -6.046 2.651 2.847 1.00 0.00 O ATOM 258 CB GLU A 19 -8.064 -0.021 2.805 1.00 0.00 C ATOM 259 CG GLU A 19 -9.191 0.760 2.126 1.00 0.00 C ATOM 260 CD GLU A 19 -10.499 0.536 2.886 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.589 0.987 4.017 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.389 -0.081 2.326 1.00 0.00 O ATOM 0 H GLU A 19 -6.189 -1.617 2.521 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.854 0.862 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.199 -1.090 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.094 0.141 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.949 1.823 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.300 0.436 1.091 1.00 0.00 H new ATOM 269 N LEU A 20 -5.646 1.059 4.316 1.00 0.00 N ATOM 270 CA LEU A 20 -5.026 2.015 5.288 1.00 0.00 C ATOM 271 C LEU A 20 -3.842 2.742 4.636 1.00 0.00 C ATOM 272 O LEU A 20 -3.448 3.810 5.064 1.00 0.00 O ATOM 273 CB LEU A 20 -4.543 1.250 6.526 1.00 0.00 C ATOM 274 CG LEU A 20 -3.529 0.171 6.116 1.00 0.00 C ATOM 275 CD1 LEU A 20 -2.391 0.121 7.138 1.00 0.00 C ATOM 276 CD2 LEU A 20 -4.223 -1.195 6.063 1.00 0.00 C ATOM 0 H LEU A 20 -5.674 0.088 4.628 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.773 2.752 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.085 1.940 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.391 0.790 7.033 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.126 0.413 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.673 -0.645 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.893 1.090 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.796 -0.118 8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.502 -1.959 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.629 -1.435 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.032 -1.164 5.334 1.00 0.00 H new ATOM 288 N THR A 21 -3.284 2.172 3.600 1.00 0.00 N ATOM 289 CA THR A 21 -2.137 2.816 2.903 1.00 0.00 C ATOM 290 C THR A 21 -2.482 2.932 1.413 1.00 0.00 C ATOM 291 O THR A 21 -2.307 1.981 0.678 1.00 0.00 O ATOM 292 CB THR A 21 -0.886 1.950 3.073 1.00 0.00 C ATOM 293 OG1 THR A 21 -1.244 0.579 2.962 1.00 0.00 O ATOM 294 CG2 THR A 21 -0.265 2.207 4.446 1.00 0.00 C ATOM 0 H THR A 21 -3.579 1.279 3.205 1.00 0.00 H new ATOM 0 HA THR A 21 -1.946 3.804 3.323 1.00 0.00 H new ATOM 0 HB THR A 21 -0.162 2.202 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.444 0.022 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.625 1.589 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.009 3.259 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.986 1.957 5.224 1.00 0.00 H new ATOM 302 N PRO A 22 -2.983 4.076 0.997 1.00 0.00 N ATOM 303 CA PRO A 22 -3.386 4.326 -0.415 1.00 0.00 C ATOM 304 C PRO A 22 -2.223 4.894 -1.237 1.00 0.00 C ATOM 305 O PRO A 22 -2.403 5.288 -2.375 1.00 0.00 O ATOM 306 CB PRO A 22 -4.507 5.345 -0.270 1.00 0.00 C ATOM 307 CG PRO A 22 -4.293 6.069 1.052 1.00 0.00 C ATOM 308 CD PRO A 22 -3.230 5.298 1.838 1.00 0.00 C ATOM 0 HA PRO A 22 -3.689 3.421 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.495 6.051 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.479 4.852 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.970 7.096 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.224 6.119 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.321 5.886 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.582 5.034 2.835 1.00 0.00 H new ATOM 316 N VAL A 23 -1.035 4.934 -0.681 1.00 0.00 N ATOM 317 CA VAL A 23 0.127 5.473 -1.449 1.00 0.00 C ATOM 318 C VAL A 23 1.337 4.571 -1.261 1.00 0.00 C ATOM 319 O VAL A 23 1.482 3.895 -0.263 1.00 0.00 O ATOM 320 CB VAL A 23 0.472 6.878 -0.957 1.00 0.00 C ATOM 321 CG1 VAL A 23 1.551 7.489 -1.853 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.775 7.754 -1.004 1.00 0.00 C ATOM 0 H VAL A 23 -0.823 4.618 0.265 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.141 5.511 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 23 0.841 6.819 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.794 8.491 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.445 6.866 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.184 7.546 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.529 8.756 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.143 7.808 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.546 7.324 -0.364 1.00 0.00 H new ATOM 332 N CYS A 24 2.209 4.577 -2.225 1.00 0.00 N ATOM 333 CA CYS A 24 3.436 3.749 -2.144 1.00 0.00 C ATOM 334 C CYS A 24 4.619 4.634 -2.537 1.00 0.00 C ATOM 335 O CYS A 24 4.953 4.758 -3.701 1.00 0.00 O ATOM 336 CB CYS A 24 3.299 2.566 -3.107 1.00 0.00 C ATOM 337 SG CYS A 24 4.804 1.558 -3.078 1.00 0.00 S ATOM 0 H CYS A 24 2.121 5.129 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 24 3.589 3.359 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.439 1.957 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.116 2.930 -4.118 1.00 0.00 H new ATOM 342 N LYS A 25 5.245 5.256 -1.572 1.00 0.00 N ATOM 343 CA LYS A 25 6.404 6.146 -1.889 1.00 0.00 C ATOM 344 C LYS A 25 7.672 5.572 -1.286 1.00 0.00 C ATOM 345 O LYS A 25 7.664 4.988 -0.222 1.00 0.00 O ATOM 346 CB LYS A 25 6.163 7.548 -1.334 1.00 0.00 C ATOM 347 CG LYS A 25 7.303 8.485 -1.752 1.00 0.00 C ATOM 348 CD LYS A 25 7.150 8.850 -3.230 1.00 0.00 C ATOM 349 CE LYS A 25 6.210 10.049 -3.365 1.00 0.00 C ATOM 350 NZ LYS A 25 6.952 11.301 -3.041 1.00 0.00 N ATOM 0 H LYS A 25 5.006 5.188 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 25 6.512 6.208 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.212 7.934 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.094 7.510 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.289 9.387 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.265 8.001 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.123 9.087 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.755 8.000 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.813 10.101 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.358 9.934 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.407 12.123 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.089 11.367 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.878 11.288 -3.514 1.00 0.00 H new ATOM 364 N ARG A 26 8.761 5.748 -1.970 1.00 0.00 N ATOM 365 CA ARG A 26 10.069 5.219 -1.479 1.00 0.00 C ATOM 366 C ARG A 26 9.969 3.697 -1.310 1.00 0.00 C ATOM 367 O ARG A 26 10.643 3.110 -0.485 1.00 0.00 O ATOM 368 CB ARG A 26 10.412 5.863 -0.134 1.00 0.00 C ATOM 369 CG ARG A 26 11.921 5.793 0.097 1.00 0.00 C ATOM 370 CD ARG A 26 12.205 5.655 1.594 1.00 0.00 C ATOM 371 NE ARG A 26 13.682 5.571 1.815 1.00 0.00 N ATOM 372 CZ ARG A 26 14.184 5.201 2.977 1.00 0.00 C ATOM 373 NH1 ARG A 26 13.411 4.889 3.992 1.00 0.00 N ATOM 374 NH2 ARG A 26 15.480 5.142 3.122 1.00 0.00 N ATOM 0 H ARG A 26 8.807 6.242 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 26 10.851 5.456 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.080 6.901 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.886 5.350 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.343 4.945 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.401 6.690 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.794 6.508 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.716 4.764 1.987 1.00 0.00 H new ATOM 0 HE ARG A 26 14.315 5.805 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.397 4.930 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.825 4.606 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.092 5.381 2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.881 4.857 4.016 1.00 0.00 H new ATOM 388 N GLY A 27 9.121 3.059 -2.083 1.00 0.00 N ATOM 389 CA GLY A 27 8.959 1.579 -1.969 1.00 0.00 C ATOM 390 C GLY A 27 8.425 1.239 -0.577 1.00 0.00 C ATOM 391 O GLY A 27 8.731 0.201 -0.020 1.00 0.00 O ATOM 0 H GLY A 27 8.534 3.504 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.273 1.216 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.915 1.082 -2.137 1.00 0.00 H new ATOM 395 N SER A 28 7.627 2.111 -0.014 1.00 0.00 N ATOM 396 CA SER A 28 7.069 1.864 1.338 1.00 0.00 C ATOM 397 C SER A 28 5.621 2.340 1.372 1.00 0.00 C ATOM 398 O SER A 28 5.310 3.458 0.992 1.00 0.00 O ATOM 399 CB SER A 28 7.885 2.631 2.378 1.00 0.00 C ATOM 400 OG SER A 28 8.931 1.799 2.862 1.00 0.00 O ATOM 0 H SER A 28 7.339 2.991 -0.443 1.00 0.00 H new ATOM 0 HA SER A 28 7.112 0.799 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.300 3.536 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.243 2.944 3.202 1.00 0.00 H new ATOM 0 HG SER A 28 9.457 2.289 3.528 1.00 0.00 H new ATOM 406 N CYS A 29 4.737 1.493 1.812 1.00 0.00 N ATOM 407 CA CYS A 29 3.295 1.866 1.872 1.00 0.00 C ATOM 408 C CYS A 29 3.083 2.973 2.906 1.00 0.00 C ATOM 409 O CYS A 29 3.739 3.018 3.928 1.00 0.00 O ATOM 410 CB CYS A 29 2.470 0.642 2.271 1.00 0.00 C ATOM 411 SG CYS A 29 2.314 -0.468 0.854 1.00 0.00 S ATOM 0 H CYS A 29 4.951 0.550 2.136 1.00 0.00 H new ATOM 0 HA CYS A 29 2.979 2.223 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.948 0.123 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.483 0.952 2.614 1.00 0.00 H new ATOM 416 N VAL A 30 2.158 3.858 2.642 1.00 0.00 N ATOM 417 CA VAL A 30 1.872 4.966 3.595 1.00 0.00 C ATOM 418 C VAL A 30 0.399 5.364 3.475 1.00 0.00 C ATOM 419 O VAL A 30 -0.255 5.070 2.487 1.00 0.00 O ATOM 420 CB VAL A 30 2.763 6.171 3.274 1.00 0.00 C ATOM 421 CG1 VAL A 30 4.227 5.802 3.521 1.00 0.00 C ATOM 422 CG2 VAL A 30 2.582 6.571 1.809 1.00 0.00 C ATOM 0 H VAL A 30 1.584 3.859 1.799 1.00 0.00 H new ATOM 0 HA VAL A 30 2.079 4.635 4.612 1.00 0.00 H new ATOM 0 HB VAL A 30 2.482 7.007 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.862 6.658 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.360 5.520 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.504 4.964 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.217 7.428 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.860 5.735 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.540 6.835 1.630 1.00 0.00 H new ATOM 432 N SER A 31 -0.127 6.025 4.476 1.00 0.00 N ATOM 433 CA SER A 31 -1.561 6.443 4.440 1.00 0.00 C ATOM 434 C SER A 31 -1.748 7.690 3.559 1.00 0.00 C ATOM 435 O SER A 31 -2.851 8.185 3.417 1.00 0.00 O ATOM 436 CB SER A 31 -2.029 6.757 5.861 1.00 0.00 C ATOM 437 OG SER A 31 -0.964 7.358 6.585 1.00 0.00 O ATOM 0 H SER A 31 0.378 6.294 5.320 1.00 0.00 H new ATOM 0 HA SER A 31 -2.150 5.628 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.888 7.427 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.353 5.843 6.360 1.00 0.00 H new ATOM 0 HG SER A 31 -1.262 7.562 7.496 1.00 0.00 H new ATOM 443 N SER A 32 -0.692 8.205 2.971 1.00 0.00 N ATOM 444 CA SER A 32 -0.829 9.417 2.108 1.00 0.00 C ATOM 445 C SER A 32 0.529 9.758 1.491 1.00 0.00 C ATOM 446 O SER A 32 1.532 9.518 2.143 1.00 0.00 O ATOM 447 CB SER A 32 -1.313 10.594 2.955 1.00 0.00 C ATOM 448 OG SER A 32 -0.825 10.450 4.282 1.00 0.00 O ATOM 449 OXT SER A 32 0.543 10.257 0.378 1.00 0.00 O ATOM 0 H SER A 32 0.256 7.837 3.053 1.00 0.00 H new ATOM 0 HA SER A 32 -1.550 9.219 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.963 11.533 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.402 10.631 2.958 1.00 0.00 H new ATOM 0 HG SER A 32 -1.132 11.204 4.827 1.00 0.00 H new