USER MOD reduce.3.24.130724 H: found=0, std=0, add=159, rem=0, adj=7 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= -0.273 USER MOD Single : A 14 ASN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 71:sc= 0.0102 USER MOD Single : A 31 SER OG : rot -58:sc= 1.26 USER MOD Single : A 32 SER OG : rot 57:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 128 N ARG A 10 6.123 -2.496 2.646 1.00 0.00 N ATOM 129 CA ARG A 10 6.967 -2.466 1.414 1.00 0.00 C ATOM 130 C ARG A 10 6.075 -2.690 0.193 1.00 0.00 C ATOM 131 O ARG A 10 5.224 -3.561 0.192 1.00 0.00 O ATOM 132 CB ARG A 10 8.021 -3.573 1.488 1.00 0.00 C ATOM 133 CG ARG A 10 8.809 -3.445 2.796 1.00 0.00 C ATOM 134 CD ARG A 10 10.271 -3.824 2.553 1.00 0.00 C ATOM 135 NE ARG A 10 10.369 -5.292 2.282 1.00 0.00 N ATOM 136 CZ ARG A 10 11.527 -5.921 2.317 1.00 0.00 C ATOM 137 NH1 ARG A 10 12.646 -5.292 2.592 1.00 0.00 N ATOM 138 NH2 ARG A 10 11.562 -7.204 2.073 1.00 0.00 N ATOM 0 HA ARG A 10 7.466 -1.500 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.541 -4.550 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.697 -3.503 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.745 -2.424 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.376 -4.093 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.668 -3.261 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.874 -3.563 3.422 1.00 0.00 H new ATOM 0 HE ARG A 10 9.522 -5.817 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.634 -4.291 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.528 -5.805 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.700 -7.706 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.451 -7.704 2.097 1.00 0.00 H new ATOM 152 N CYS A 11 6.250 -1.904 -0.841 1.00 0.00 N ATOM 153 CA CYS A 11 5.396 -2.063 -2.058 1.00 0.00 C ATOM 154 C CYS A 11 6.158 -1.645 -3.312 1.00 0.00 C ATOM 155 O CYS A 11 7.301 -1.234 -3.262 1.00 0.00 O ATOM 156 CB CYS A 11 4.146 -1.179 -1.943 1.00 0.00 C ATOM 157 SG CYS A 11 4.605 0.492 -1.407 1.00 0.00 S ATOM 0 H CYS A 11 6.946 -1.161 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 11 5.114 -3.113 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.635 -1.132 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.446 -1.617 -1.231 1.00 0.00 H new ATOM 162 N SER A 12 5.501 -1.732 -4.436 1.00 0.00 N ATOM 163 CA SER A 12 6.126 -1.326 -5.727 1.00 0.00 C ATOM 164 C SER A 12 5.164 -0.407 -6.498 1.00 0.00 C ATOM 165 O SER A 12 5.390 -0.093 -7.651 1.00 0.00 O ATOM 166 CB SER A 12 6.422 -2.570 -6.564 1.00 0.00 C ATOM 167 OG SER A 12 7.023 -3.560 -5.739 1.00 0.00 O ATOM 0 H SER A 12 4.543 -2.072 -4.516 1.00 0.00 H new ATOM 0 HA SER A 12 7.055 -0.793 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.501 -2.955 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.086 -2.317 -7.390 1.00 0.00 H new ATOM 0 HG SER A 12 7.212 -4.360 -6.273 1.00 0.00 H new ATOM 173 N SER A 13 4.092 0.028 -5.870 1.00 0.00 N ATOM 174 CA SER A 13 3.117 0.921 -6.553 1.00 0.00 C ATOM 175 C SER A 13 1.992 1.255 -5.570 1.00 0.00 C ATOM 176 O SER A 13 1.858 0.628 -4.536 1.00 0.00 O ATOM 177 CB SER A 13 2.545 0.206 -7.778 1.00 0.00 C ATOM 178 OG SER A 13 1.343 0.847 -8.188 1.00 0.00 O ATOM 0 H SER A 13 3.856 -0.204 -4.905 1.00 0.00 H new ATOM 0 HA SER A 13 3.607 1.839 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.271 0.219 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.349 -0.840 -7.542 1.00 0.00 H new ATOM 0 HG SER A 13 0.979 0.388 -8.974 1.00 0.00 H new ATOM 184 N ASN A 14 1.193 2.244 -5.876 1.00 0.00 N ATOM 185 CA ASN A 14 0.080 2.632 -4.957 1.00 0.00 C ATOM 186 C ASN A 14 -0.880 1.454 -4.757 1.00 0.00 C ATOM 187 O ASN A 14 -1.335 1.196 -3.659 1.00 0.00 O ATOM 188 CB ASN A 14 -0.684 3.814 -5.557 1.00 0.00 C ATOM 189 CG ASN A 14 -0.073 5.124 -5.057 1.00 0.00 C ATOM 190 OD1 ASN A 14 1.127 5.229 -4.901 1.00 0.00 O ATOM 191 ND2 ASN A 14 -0.855 6.137 -4.798 1.00 0.00 N ATOM 0 H ASN A 14 1.263 2.802 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 14 0.500 2.914 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.642 3.773 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.736 3.761 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.458 7.016 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.863 6.050 -4.929 1.00 0.00 H new ATOM 198 N ARG A 15 -1.196 0.745 -5.812 1.00 0.00 N ATOM 199 CA ARG A 15 -2.137 -0.411 -5.690 1.00 0.00 C ATOM 200 C ARG A 15 -1.473 -1.585 -4.960 1.00 0.00 C ATOM 201 O ARG A 15 -2.132 -2.539 -4.590 1.00 0.00 O ATOM 202 CB ARG A 15 -2.579 -0.852 -7.089 1.00 0.00 C ATOM 203 CG ARG A 15 -4.057 -0.507 -7.307 1.00 0.00 C ATOM 204 CD ARG A 15 -4.239 1.015 -7.319 1.00 0.00 C ATOM 205 NE ARG A 15 -5.107 1.402 -8.474 1.00 0.00 N ATOM 206 CZ ARG A 15 -6.382 1.070 -8.520 1.00 0.00 C ATOM 207 NH1 ARG A 15 -6.948 0.383 -7.554 1.00 0.00 N ATOM 208 NH2 ARG A 15 -7.097 1.431 -9.550 1.00 0.00 N ATOM 0 H ARG A 15 -0.843 0.917 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.004 -0.097 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.967 -0.359 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.427 -1.925 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.404 -0.931 -8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.663 -0.949 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.690 1.346 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.270 1.508 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.703 1.935 -9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.399 0.094 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.937 0.139 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.668 1.964 -10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.085 1.181 -9.598 1.00 0.00 H new ATOM 222 N ASP A 16 -0.185 -1.525 -4.745 1.00 0.00 N ATOM 223 CA ASP A 16 0.511 -2.635 -4.034 1.00 0.00 C ATOM 224 C ASP A 16 0.321 -2.493 -2.514 1.00 0.00 C ATOM 225 O ASP A 16 0.812 -3.305 -1.751 1.00 0.00 O ATOM 226 CB ASP A 16 2.005 -2.574 -4.367 1.00 0.00 C ATOM 227 CG ASP A 16 2.362 -3.681 -5.363 1.00 0.00 C ATOM 228 OD1 ASP A 16 1.962 -3.570 -6.511 1.00 0.00 O ATOM 229 OD2 ASP A 16 3.028 -4.621 -4.962 1.00 0.00 O ATOM 0 H ASP A 16 0.416 -0.752 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 16 0.092 -3.589 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.253 -1.600 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.594 -2.687 -3.457 1.00 0.00 H new ATOM 234 N CYS A 17 -0.370 -1.470 -2.065 1.00 0.00 N ATOM 235 CA CYS A 17 -0.567 -1.284 -0.598 1.00 0.00 C ATOM 236 C CYS A 17 -1.977 -1.718 -0.194 1.00 0.00 C ATOM 237 O CYS A 17 -2.749 -2.189 -1.007 1.00 0.00 O ATOM 238 CB CYS A 17 -0.365 0.188 -0.251 1.00 0.00 C ATOM 239 SG CYS A 17 1.369 0.628 -0.509 1.00 0.00 S ATOM 0 H CYS A 17 -0.804 -0.759 -2.654 1.00 0.00 H new ATOM 0 HA CYS A 17 0.156 -1.895 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.007 0.812 -0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.649 0.372 0.785 1.00 0.00 H new ATOM 244 N CYS A 18 -2.306 -1.573 1.066 1.00 0.00 N ATOM 245 CA CYS A 18 -3.646 -1.982 1.551 1.00 0.00 C ATOM 246 C CYS A 18 -4.562 -0.757 1.642 1.00 0.00 C ATOM 247 O CYS A 18 -4.203 0.331 1.231 1.00 0.00 O ATOM 248 CB CYS A 18 -3.483 -2.599 2.937 1.00 0.00 C ATOM 249 SG CYS A 18 -3.043 -4.349 2.797 1.00 0.00 S ATOM 0 H CYS A 18 -1.692 -1.184 1.781 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.089 -2.702 0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.711 -2.066 3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.410 -2.494 3.501 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.906 -4.858 3.985 1.00 0.00 H new ATOM 254 N GLU A 19 -5.741 -0.931 2.183 1.00 0.00 N ATOM 255 CA GLU A 19 -6.693 0.208 2.313 1.00 0.00 C ATOM 256 C GLU A 19 -6.108 1.256 3.256 1.00 0.00 C ATOM 257 O GLU A 19 -6.113 2.439 2.973 1.00 0.00 O ATOM 258 CB GLU A 19 -8.016 -0.307 2.881 1.00 0.00 C ATOM 259 CG GLU A 19 -9.183 0.441 2.232 1.00 0.00 C ATOM 260 CD GLU A 19 -10.484 -0.321 2.487 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.822 -0.509 3.644 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.122 -0.705 1.520 1.00 0.00 O ATOM 0 H GLU A 19 -6.085 -1.821 2.542 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.863 0.658 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.110 -1.377 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.038 -0.167 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.254 1.449 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.013 0.542 1.160 1.00 0.00 H new ATOM 269 N LEU A 20 -5.606 0.820 4.378 1.00 0.00 N ATOM 270 CA LEU A 20 -5.011 1.770 5.368 1.00 0.00 C ATOM 271 C LEU A 20 -3.854 2.549 4.727 1.00 0.00 C ATOM 272 O LEU A 20 -3.475 3.606 5.195 1.00 0.00 O ATOM 273 CB LEU A 20 -4.496 0.988 6.581 1.00 0.00 C ATOM 274 CG LEU A 20 -3.492 -0.080 6.125 1.00 0.00 C ATOM 275 CD1 LEU A 20 -2.067 0.410 6.385 1.00 0.00 C ATOM 276 CD2 LEU A 20 -3.730 -1.375 6.906 1.00 0.00 C ATOM 0 H LEU A 20 -5.581 -0.161 4.656 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.777 2.477 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.021 1.668 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.330 0.517 7.102 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.625 -0.266 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.356 -0.350 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.892 1.331 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.936 0.598 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.016 -2.132 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.599 -1.187 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.744 -1.730 6.722 1.00 0.00 H new ATOM 288 N THR A 21 -3.299 2.038 3.656 1.00 0.00 N ATOM 289 CA THR A 21 -2.177 2.743 2.973 1.00 0.00 C ATOM 290 C THR A 21 -2.490 2.819 1.472 1.00 0.00 C ATOM 291 O THR A 21 -2.279 1.858 0.762 1.00 0.00 O ATOM 292 CB THR A 21 -0.876 1.958 3.179 1.00 0.00 C ATOM 293 OG1 THR A 21 -1.148 0.565 3.101 1.00 0.00 O ATOM 294 CG2 THR A 21 -0.278 2.289 4.551 1.00 0.00 C ATOM 0 H THR A 21 -3.579 1.157 3.225 1.00 0.00 H new ATOM 0 HA THR A 21 -2.061 3.745 3.386 1.00 0.00 H new ATOM 0 HB THR A 21 -0.162 2.235 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.358 0.061 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.646 1.728 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.066 3.357 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.988 2.018 5.332 1.00 0.00 H new ATOM 302 N PRO A 22 -2.998 3.946 1.017 1.00 0.00 N ATOM 303 CA PRO A 22 -3.365 4.160 -0.411 1.00 0.00 C ATOM 304 C PRO A 22 -2.202 4.778 -1.197 1.00 0.00 C ATOM 305 O PRO A 22 -2.358 5.155 -2.344 1.00 0.00 O ATOM 306 CB PRO A 22 -4.535 5.129 -0.311 1.00 0.00 C ATOM 307 CG PRO A 22 -4.393 5.874 1.010 1.00 0.00 C ATOM 308 CD PRO A 22 -3.293 5.181 1.818 1.00 0.00 C ATOM 0 HA PRO A 22 -3.608 3.237 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.529 5.827 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.483 4.592 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.138 6.919 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.335 5.863 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.411 5.813 1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.629 4.936 2.826 1.00 0.00 H new ATOM 316 N VAL A 23 -1.039 4.885 -0.596 1.00 0.00 N ATOM 317 CA VAL A 23 0.122 5.478 -1.320 1.00 0.00 C ATOM 318 C VAL A 23 1.332 4.564 -1.186 1.00 0.00 C ATOM 319 O VAL A 23 1.489 3.851 -0.215 1.00 0.00 O ATOM 320 CB VAL A 23 0.455 6.849 -0.723 1.00 0.00 C ATOM 321 CG1 VAL A 23 1.586 7.506 -1.518 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.780 7.743 -0.784 1.00 0.00 C ATOM 0 H VAL A 23 -0.848 4.587 0.361 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.134 5.591 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 23 0.769 6.718 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.816 8.480 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.473 6.874 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.276 7.633 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.544 8.719 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.090 7.864 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.589 7.285 -0.214 1.00 0.00 H new ATOM 332 N CYS A 24 2.190 4.595 -2.164 1.00 0.00 N ATOM 333 CA CYS A 24 3.408 3.752 -2.131 1.00 0.00 C ATOM 334 C CYS A 24 4.590 4.618 -2.563 1.00 0.00 C ATOM 335 O CYS A 24 4.905 4.712 -3.735 1.00 0.00 O ATOM 336 CB CYS A 24 3.222 2.576 -3.092 1.00 0.00 C ATOM 337 SG CYS A 24 4.713 1.546 -3.124 1.00 0.00 S ATOM 0 H CYS A 24 2.095 5.178 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 24 3.590 3.358 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.365 1.977 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.007 2.947 -4.094 1.00 0.00 H new ATOM 342 N LYS A 25 5.238 5.254 -1.624 1.00 0.00 N ATOM 343 CA LYS A 25 6.400 6.123 -1.980 1.00 0.00 C ATOM 344 C LYS A 25 7.678 5.529 -1.421 1.00 0.00 C ATOM 345 O LYS A 25 7.703 4.959 -0.350 1.00 0.00 O ATOM 346 CB LYS A 25 6.209 7.531 -1.424 1.00 0.00 C ATOM 347 CG LYS A 25 7.351 8.438 -1.894 1.00 0.00 C ATOM 348 CD LYS A 25 7.029 9.891 -1.534 1.00 0.00 C ATOM 349 CE LYS A 25 6.135 10.499 -2.617 1.00 0.00 C ATOM 350 NZ LYS A 25 6.984 11.130 -3.666 1.00 0.00 N ATOM 0 H LYS A 25 5.015 5.211 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 25 6.467 6.180 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.252 7.935 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.182 7.500 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.287 8.135 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.488 8.341 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.528 9.935 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.950 10.467 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.505 9.727 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.468 11.241 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.377 11.543 -4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.567 11.878 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.602 10.410 -4.091 1.00 0.00 H new ATOM 364 N ARG A 26 8.740 5.672 -2.154 1.00 0.00 N ATOM 365 CA ARG A 26 10.056 5.122 -1.712 1.00 0.00 C ATOM 366 C ARG A 26 9.930 3.608 -1.496 1.00 0.00 C ATOM 367 O ARG A 26 10.625 3.028 -0.683 1.00 0.00 O ATOM 368 CB ARG A 26 10.478 5.794 -0.404 1.00 0.00 C ATOM 369 CG ARG A 26 11.997 5.714 -0.263 1.00 0.00 C ATOM 370 CD ARG A 26 12.469 6.722 0.786 1.00 0.00 C ATOM 371 NE ARG A 26 13.897 7.080 0.525 1.00 0.00 N ATOM 372 CZ ARG A 26 14.250 7.760 -0.548 1.00 0.00 C ATOM 373 NH1 ARG A 26 13.365 8.156 -1.434 1.00 0.00 N ATOM 374 NH2 ARG A 26 15.508 8.049 -0.734 1.00 0.00 N ATOM 0 H ARG A 26 8.758 6.152 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 26 10.808 5.318 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.155 6.835 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.996 5.304 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.293 4.706 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.473 5.922 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.847 7.616 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.366 6.299 1.785 1.00 0.00 H new ATOM 0 HE ARG A 26 14.614 6.792 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.377 7.939 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.665 8.681 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.206 7.749 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.794 8.575 -1.560 1.00 0.00 H new ATOM 388 N GLY A 27 9.038 2.969 -2.216 1.00 0.00 N ATOM 389 CA GLY A 27 8.850 1.496 -2.056 1.00 0.00 C ATOM 390 C GLY A 27 8.353 1.204 -0.639 1.00 0.00 C ATOM 391 O GLY A 27 8.668 0.182 -0.060 1.00 0.00 O ATOM 0 H GLY A 27 8.432 3.408 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.133 1.127 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.790 0.975 -2.239 1.00 0.00 H new ATOM 395 N SER A 28 7.578 2.099 -0.082 1.00 0.00 N ATOM 396 CA SER A 28 7.055 1.898 1.293 1.00 0.00 C ATOM 397 C SER A 28 5.609 2.382 1.350 1.00 0.00 C ATOM 398 O SER A 28 5.298 3.499 0.972 1.00 0.00 O ATOM 399 CB SER A 28 7.902 2.695 2.285 1.00 0.00 C ATOM 400 OG SER A 28 9.246 2.233 2.231 1.00 0.00 O ATOM 0 H SER A 28 7.285 2.967 -0.530 1.00 0.00 H new ATOM 0 HA SER A 28 7.100 0.840 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.860 3.757 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.506 2.580 3.294 1.00 0.00 H new ATOM 0 HG SER A 28 9.655 2.514 1.386 1.00 0.00 H new ATOM 406 N CYS A 29 4.729 1.541 1.811 1.00 0.00 N ATOM 407 CA CYS A 29 3.290 1.921 1.894 1.00 0.00 C ATOM 408 C CYS A 29 3.097 3.020 2.940 1.00 0.00 C ATOM 409 O CYS A 29 3.747 3.038 3.967 1.00 0.00 O ATOM 410 CB CYS A 29 2.467 0.698 2.297 1.00 0.00 C ATOM 411 SG CYS A 29 2.350 -0.438 0.897 1.00 0.00 S ATOM 0 H CYS A 29 4.945 0.599 2.137 1.00 0.00 H new ATOM 0 HA CYS A 29 2.962 2.288 0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.931 0.198 3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.470 1.005 2.614 1.00 0.00 H new ATOM 416 N VAL A 30 2.195 3.930 2.681 1.00 0.00 N ATOM 417 CA VAL A 30 1.929 5.032 3.646 1.00 0.00 C ATOM 418 C VAL A 30 0.468 5.472 3.519 1.00 0.00 C ATOM 419 O VAL A 30 -0.200 5.170 2.541 1.00 0.00 O ATOM 420 CB VAL A 30 2.854 6.216 3.346 1.00 0.00 C ATOM 421 CG1 VAL A 30 4.306 5.802 3.586 1.00 0.00 C ATOM 422 CG2 VAL A 30 2.684 6.649 1.887 1.00 0.00 C ATOM 0 H VAL A 30 1.627 3.955 1.834 1.00 0.00 H new ATOM 0 HA VAL A 30 2.117 4.682 4.661 1.00 0.00 H new ATOM 0 HB VAL A 30 2.597 7.048 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.964 6.644 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.431 5.498 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.560 4.968 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.344 7.491 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.937 5.818 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.650 6.947 1.714 1.00 0.00 H new ATOM 432 N SER A 31 -0.032 6.183 4.499 1.00 0.00 N ATOM 433 CA SER A 31 -1.448 6.650 4.452 1.00 0.00 C ATOM 434 C SER A 31 -1.499 8.087 3.923 1.00 0.00 C ATOM 435 O SER A 31 -2.343 8.869 4.315 1.00 0.00 O ATOM 436 CB SER A 31 -2.044 6.605 5.859 1.00 0.00 C ATOM 437 OG SER A 31 -1.855 5.307 6.408 1.00 0.00 O ATOM 0 H SER A 31 0.485 6.461 5.334 1.00 0.00 H new ATOM 0 HA SER A 31 -2.022 6.001 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.567 7.353 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.106 6.847 5.824 1.00 0.00 H new ATOM 0 HG SER A 31 -2.278 4.641 5.826 1.00 0.00 H new ATOM 443 N SER A 32 -0.597 8.438 3.039 1.00 0.00 N ATOM 444 CA SER A 32 -0.580 9.823 2.477 1.00 0.00 C ATOM 445 C SER A 32 0.597 9.963 1.509 1.00 0.00 C ATOM 446 O SER A 32 1.701 9.621 1.898 1.00 0.00 O ATOM 447 CB SER A 32 -0.427 10.842 3.611 1.00 0.00 C ATOM 448 OG SER A 32 -1.713 11.293 4.013 1.00 0.00 O ATOM 449 OXT SER A 32 0.374 10.411 0.397 1.00 0.00 O ATOM 0 H SER A 32 0.132 7.820 2.681 1.00 0.00 H new ATOM 0 HA SER A 32 -1.516 10.009 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.092 10.389 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.179 11.685 3.279 1.00 0.00 H new ATOM 0 HG SER A 32 -2.263 10.524 4.272 1.00 0.00 H new