USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 173 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 LYS NZ :NH3+ -147:sc= -0.0884 (180deg=-0.73) USER MOD Single : A 16 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N LEU A 11 13.260 -0.493 -1.838 1.00 0.00 N ATOM 141 CA LEU A 11 11.955 0.130 -2.169 1.00 0.00 C ATOM 142 C LEU A 11 10.941 -0.954 -2.540 1.00 0.00 C ATOM 143 O LEU A 11 9.818 -0.945 -2.079 1.00 0.00 O ATOM 144 CB LEU A 11 12.150 1.080 -3.346 1.00 0.00 C ATOM 145 CG LEU A 11 10.812 1.692 -3.737 1.00 0.00 C ATOM 146 CD1 LEU A 11 10.890 3.209 -3.577 1.00 0.00 C ATOM 147 CD2 LEU A 11 10.510 1.343 -5.194 1.00 0.00 C ATOM 0 HA LEU A 11 11.579 0.681 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.856 1.866 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.577 0.543 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 11 10.021 1.300 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.935 3.654 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.116 3.454 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.675 3.603 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.553 1.778 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.297 1.742 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.465 0.260 -5.307 1.00 0.00 H new ATOM 159 N LYS A 12 11.323 -1.892 -3.363 1.00 0.00 N ATOM 160 CA LYS A 12 10.368 -2.969 -3.741 1.00 0.00 C ATOM 161 C LYS A 12 9.801 -3.591 -2.467 1.00 0.00 C ATOM 162 O LYS A 12 8.658 -3.998 -2.414 1.00 0.00 O ATOM 163 CB LYS A 12 11.097 -4.039 -4.555 1.00 0.00 C ATOM 164 CG LYS A 12 10.111 -5.140 -4.953 1.00 0.00 C ATOM 165 CD LYS A 12 9.715 -4.965 -6.421 1.00 0.00 C ATOM 166 CE LYS A 12 10.811 -5.545 -7.318 1.00 0.00 C ATOM 167 NZ LYS A 12 11.561 -4.433 -7.967 1.00 0.00 N ATOM 0 H LYS A 12 12.248 -1.958 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 12 9.559 -2.554 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.540 -3.594 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.914 -4.462 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.563 -6.120 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.226 -5.096 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.767 -5.467 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.568 -3.909 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.490 -6.161 -6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.371 -6.192 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.873 -4.731 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.943 -3.601 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.391 -4.191 -7.389 1.00 0.00 H new ATOM 181 N GLU A 13 10.595 -3.657 -1.434 1.00 0.00 N ATOM 182 CA GLU A 13 10.110 -4.239 -0.154 1.00 0.00 C ATOM 183 C GLU A 13 9.195 -3.227 0.539 1.00 0.00 C ATOM 184 O GLU A 13 8.253 -3.587 1.217 1.00 0.00 O ATOM 185 CB GLU A 13 11.304 -4.551 0.750 1.00 0.00 C ATOM 186 CG GLU A 13 11.326 -6.047 1.070 1.00 0.00 C ATOM 187 CD GLU A 13 9.947 -6.483 1.570 1.00 0.00 C ATOM 188 OE1 GLU A 13 9.674 -6.283 2.742 1.00 0.00 O ATOM 189 OE2 GLU A 13 9.189 -7.009 0.772 1.00 0.00 O ATOM 0 H GLU A 13 11.562 -3.331 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 13 9.559 -5.158 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.232 -4.260 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.237 -3.972 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.599 -6.616 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.082 -6.257 1.827 1.00 0.00 H new ATOM 196 N PHE A 14 9.468 -1.959 0.376 1.00 0.00 N ATOM 197 CA PHE A 14 8.621 -0.921 1.025 1.00 0.00 C ATOM 198 C PHE A 14 7.201 -0.980 0.459 1.00 0.00 C ATOM 199 O PHE A 14 6.230 -0.861 1.179 1.00 0.00 O ATOM 200 CB PHE A 14 9.215 0.463 0.763 1.00 0.00 C ATOM 201 CG PHE A 14 8.373 1.510 1.452 1.00 0.00 C ATOM 202 CD1 PHE A 14 8.594 1.809 2.802 1.00 0.00 C ATOM 203 CD2 PHE A 14 7.371 2.182 0.741 1.00 0.00 C ATOM 204 CE1 PHE A 14 7.814 2.780 3.440 1.00 0.00 C ATOM 205 CE2 PHE A 14 6.591 3.153 1.380 1.00 0.00 C ATOM 206 CZ PHE A 14 6.812 3.452 2.729 1.00 0.00 C ATOM 0 H PHE A 14 10.243 -1.599 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 14 8.589 -1.107 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.240 0.506 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.252 0.658 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.366 1.290 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.200 1.951 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.985 3.011 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.818 3.672 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.210 4.201 3.222 1.00 0.00 H new ATOM 216 N GLY A 15 7.072 -1.166 -0.825 1.00 0.00 N ATOM 217 CA GLY A 15 5.714 -1.237 -1.435 1.00 0.00 C ATOM 218 C GLY A 15 5.169 -2.657 -1.285 1.00 0.00 C ATOM 219 O GLY A 15 4.118 -2.991 -1.796 1.00 0.00 O ATOM 0 H GLY A 15 7.848 -1.272 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.046 -0.525 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.761 -0.962 -2.489 1.00 0.00 H new ATOM 223 N ASN A 16 5.887 -3.498 -0.596 1.00 0.00 N ATOM 224 CA ASN A 16 5.441 -4.896 -0.409 1.00 0.00 C ATOM 225 C ASN A 16 4.807 -5.061 0.976 1.00 0.00 C ATOM 226 O ASN A 16 3.662 -5.442 1.105 1.00 0.00 O ATOM 227 CB ASN A 16 6.660 -5.806 -0.526 1.00 0.00 C ATOM 228 CG ASN A 16 6.207 -7.245 -0.779 1.00 0.00 C ATOM 229 OD1 ASN A 16 5.171 -7.661 -0.300 1.00 0.00 O ATOM 230 ND2 ASN A 16 6.945 -8.028 -1.517 1.00 0.00 N ATOM 0 H ASN A 16 6.775 -3.268 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 16 4.700 -5.156 -1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.301 -5.468 -1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.252 -5.756 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.652 -8.989 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.815 -7.679 -1.919 1.00 0.00 H new ATOM 237 N THR A 17 5.551 -4.783 2.012 1.00 0.00 N ATOM 238 CA THR A 17 5.010 -4.926 3.394 1.00 0.00 C ATOM 239 C THR A 17 3.789 -4.004 3.577 1.00 0.00 C ATOM 240 O THR A 17 2.879 -4.025 2.774 1.00 0.00 O ATOM 241 CB THR A 17 6.127 -4.582 4.389 1.00 0.00 C ATOM 242 OG1 THR A 17 5.682 -4.825 5.716 1.00 0.00 O ATOM 243 CG2 THR A 17 6.530 -3.113 4.231 1.00 0.00 C ATOM 0 H THR A 17 6.517 -4.461 1.960 1.00 0.00 H new ATOM 0 HA THR A 17 4.678 -5.949 3.572 1.00 0.00 H new ATOM 0 HB THR A 17 6.994 -5.211 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.399 -4.606 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.323 -2.875 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.887 -2.941 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.667 -2.476 4.425 1.00 0.00 H new ATOM 251 N LEU A 18 3.759 -3.221 4.632 1.00 0.00 N ATOM 252 CA LEU A 18 2.609 -2.301 4.908 1.00 0.00 C ATOM 253 C LEU A 18 1.853 -1.934 3.624 1.00 0.00 C ATOM 254 O LEU A 18 0.647 -1.910 3.611 1.00 0.00 O ATOM 255 CB LEU A 18 3.148 -1.026 5.562 1.00 0.00 C ATOM 256 CG LEU A 18 2.068 0.059 5.561 1.00 0.00 C ATOM 257 CD1 LEU A 18 2.336 1.048 6.697 1.00 0.00 C ATOM 258 CD2 LEU A 18 2.095 0.802 4.223 1.00 0.00 C ATOM 0 H LEU A 18 4.503 -3.182 5.329 1.00 0.00 H new ATOM 0 HA LEU A 18 1.910 -2.812 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.463 -1.237 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.028 -0.675 5.023 1.00 0.00 H new ATOM 0 HG LEU A 18 1.090 -0.401 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.567 1.820 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.319 0.520 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.313 1.509 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.327 1.575 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.073 1.262 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.905 0.099 3.412 1.00 0.00 H new ATOM 270 N GLU A 19 2.539 -1.641 2.554 1.00 0.00 N ATOM 271 CA GLU A 19 1.825 -1.271 1.292 1.00 0.00 C ATOM 272 C GLU A 19 0.720 -2.287 0.991 1.00 0.00 C ATOM 273 O GLU A 19 -0.452 -1.976 1.047 1.00 0.00 O ATOM 274 CB GLU A 19 2.815 -1.245 0.128 1.00 0.00 C ATOM 275 CG GLU A 19 2.367 -0.200 -0.895 1.00 0.00 C ATOM 276 CD GLU A 19 3.110 -0.421 -2.214 1.00 0.00 C ATOM 277 OE1 GLU A 19 2.798 -1.385 -2.893 1.00 0.00 O ATOM 278 OE2 GLU A 19 3.979 0.377 -2.522 1.00 0.00 O ATOM 0 H GLU A 19 3.557 -1.641 2.495 1.00 0.00 H new ATOM 0 HA GLU A 19 1.380 -0.284 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.815 -1.009 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.870 -2.228 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.291 -0.272 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.567 0.803 -0.517 1.00 0.00 H new ATOM 285 N ASP A 20 1.080 -3.494 0.663 1.00 0.00 N ATOM 286 CA ASP A 20 0.041 -4.520 0.355 1.00 0.00 C ATOM 287 C ASP A 20 -1.041 -4.477 1.435 1.00 0.00 C ATOM 288 O ASP A 20 -2.184 -4.815 1.203 1.00 0.00 O ATOM 289 CB ASP A 20 0.681 -5.909 0.329 1.00 0.00 C ATOM 290 CG ASP A 20 0.234 -6.654 -0.930 1.00 0.00 C ATOM 291 OD1 ASP A 20 -0.121 -5.993 -1.891 1.00 0.00 O ATOM 292 OD2 ASP A 20 0.255 -7.874 -0.911 1.00 0.00 O ATOM 0 H ASP A 20 2.045 -3.817 0.594 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.402 -4.311 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.767 -5.821 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.393 -6.470 1.218 1.00 0.00 H new ATOM 297 N LYS A 21 -0.682 -4.057 2.615 1.00 0.00 N ATOM 298 CA LYS A 21 -1.678 -3.981 3.723 1.00 0.00 C ATOM 299 C LYS A 21 -2.654 -2.837 3.445 1.00 0.00 C ATOM 300 O LYS A 21 -3.854 -2.980 3.572 1.00 0.00 O ATOM 301 CB LYS A 21 -0.950 -3.729 5.050 1.00 0.00 C ATOM 302 CG LYS A 21 -1.908 -3.987 6.214 1.00 0.00 C ATOM 303 CD LYS A 21 -1.215 -3.637 7.533 1.00 0.00 C ATOM 304 CE LYS A 21 -2.013 -2.551 8.257 1.00 0.00 C ATOM 305 NZ LYS A 21 -1.073 -1.592 8.903 1.00 0.00 N ATOM 0 H LYS A 21 0.262 -3.761 2.862 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.227 -4.920 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.080 -4.381 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.584 -2.703 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.811 -3.388 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.217 -5.032 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.136 -4.524 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.200 -3.290 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.657 -2.026 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.663 -3.001 9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.615 -0.853 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.476 -2.099 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.471 -1.154 8.177 1.00 0.00 H new ATOM 319 N ALA A 22 -2.142 -1.707 3.053 1.00 0.00 N ATOM 320 CA ALA A 22 -3.016 -0.545 2.746 1.00 0.00 C ATOM 321 C ALA A 22 -4.078 -0.986 1.746 1.00 0.00 C ATOM 322 O ALA A 22 -5.249 -0.694 1.893 1.00 0.00 O ATOM 323 CB ALA A 22 -2.166 0.575 2.141 1.00 0.00 C ATOM 0 H ALA A 22 -1.144 -1.537 2.931 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.496 -0.180 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.801 1.431 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.397 0.873 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.694 0.219 1.225 1.00 0.00 H new ATOM 329 N TRP A 23 -3.678 -1.704 0.737 1.00 0.00 N ATOM 330 CA TRP A 23 -4.640 -2.187 -0.264 1.00 0.00 C ATOM 331 C TRP A 23 -5.534 -3.237 0.392 1.00 0.00 C ATOM 332 O TRP A 23 -6.700 -3.367 0.075 1.00 0.00 O ATOM 333 CB TRP A 23 -3.846 -2.811 -1.399 1.00 0.00 C ATOM 334 CG TRP A 23 -3.902 -1.924 -2.592 1.00 0.00 C ATOM 335 CD1 TRP A 23 -2.995 -0.969 -2.897 1.00 0.00 C ATOM 336 CD2 TRP A 23 -4.902 -1.890 -3.639 1.00 0.00 C ATOM 337 NE1 TRP A 23 -3.379 -0.352 -4.076 1.00 0.00 N ATOM 338 CE2 TRP A 23 -4.552 -0.888 -4.571 1.00 0.00 C ATOM 339 CE3 TRP A 23 -6.067 -2.632 -3.861 1.00 0.00 C ATOM 340 CZ2 TRP A 23 -5.340 -0.632 -5.694 1.00 0.00 C ATOM 341 CZ3 TRP A 23 -6.866 -2.380 -4.988 1.00 0.00 C ATOM 342 CH2 TRP A 23 -6.503 -1.381 -5.904 1.00 0.00 C ATOM 0 H TRP A 23 -2.709 -1.976 0.569 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.262 -1.378 -0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.811 -2.961 -1.093 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.252 -3.793 -1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.116 -0.727 -2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.860 0.404 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.354 -3.403 -3.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.054 0.138 -6.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.764 -2.958 -5.150 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.120 -1.191 -6.770 1.00 0.00 H new ATOM 353 N GLU A 24 -4.992 -3.978 1.320 1.00 0.00 N ATOM 354 CA GLU A 24 -5.793 -5.011 2.019 1.00 0.00 C ATOM 355 C GLU A 24 -6.884 -4.319 2.834 1.00 0.00 C ATOM 356 O GLU A 24 -7.906 -4.896 3.148 1.00 0.00 O ATOM 357 CB GLU A 24 -4.882 -5.801 2.953 1.00 0.00 C ATOM 358 CG GLU A 24 -5.672 -6.940 3.601 1.00 0.00 C ATOM 359 CD GLU A 24 -4.820 -8.210 3.611 1.00 0.00 C ATOM 360 OE1 GLU A 24 -3.813 -8.220 4.301 1.00 0.00 O ATOM 361 OE2 GLU A 24 -5.188 -9.152 2.930 1.00 0.00 O ATOM 0 H GLU A 24 -4.021 -3.908 1.623 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.247 -5.689 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.035 -6.203 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.475 -5.144 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.952 -6.669 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.597 -7.114 3.051 1.00 0.00 H new ATOM 368 N VAL A 25 -6.669 -3.077 3.176 1.00 0.00 N ATOM 369 CA VAL A 25 -7.676 -2.329 3.966 1.00 0.00 C ATOM 370 C VAL A 25 -8.791 -1.855 3.034 1.00 0.00 C ATOM 371 O VAL A 25 -9.912 -1.637 3.448 1.00 0.00 O ATOM 372 CB VAL A 25 -6.986 -1.131 4.625 1.00 0.00 C ATOM 373 CG1 VAL A 25 -8.019 -0.069 4.998 1.00 0.00 C ATOM 374 CG2 VAL A 25 -6.259 -1.596 5.889 1.00 0.00 C ATOM 0 H VAL A 25 -5.830 -2.548 2.937 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.110 -2.965 4.737 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.271 -0.702 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.517 0.778 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.536 0.267 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.741 -0.493 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.767 -0.745 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.978 -2.029 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.513 -2.346 5.625 1.00 0.00 H new ATOM 384 N ILE A 26 -8.493 -1.697 1.776 1.00 0.00 N ATOM 385 CA ILE A 26 -9.537 -1.249 0.820 1.00 0.00 C ATOM 386 C ILE A 26 -10.653 -2.290 0.784 1.00 0.00 C ATOM 387 O ILE A 26 -11.760 -2.018 0.368 1.00 0.00 O ATOM 388 CB ILE A 26 -8.925 -1.111 -0.569 1.00 0.00 C ATOM 389 CG1 ILE A 26 -7.824 -0.057 -0.526 1.00 0.00 C ATOM 390 CG2 ILE A 26 -10.003 -0.684 -1.566 1.00 0.00 C ATOM 391 CD1 ILE A 26 -6.929 -0.214 -1.754 1.00 0.00 C ATOM 0 H ILE A 26 -7.571 -1.859 1.370 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.940 -0.286 1.134 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.507 -2.068 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.261 0.941 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.235 -0.166 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.563 -0.586 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.793 -1.435 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.423 0.274 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.140 0.538 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.483 -1.209 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.525 -0.083 -2.657 1.00 0.00 H new ATOM 403 N ASN A 27 -10.363 -3.486 1.215 1.00 0.00 N ATOM 404 CA ASN A 27 -11.401 -4.556 1.211 1.00 0.00 C ATOM 405 C ASN A 27 -12.180 -4.522 2.527 1.00 0.00 C ATOM 406 O ASN A 27 -13.291 -5.007 2.613 1.00 0.00 O ATOM 407 CB ASN A 27 -10.727 -5.921 1.052 1.00 0.00 C ATOM 408 CG ASN A 27 -11.763 -6.954 0.605 1.00 0.00 C ATOM 409 OD1 ASN A 27 -11.827 -7.304 -0.557 1.00 0.00 O ATOM 410 ND2 ASN A 27 -12.584 -7.459 1.484 1.00 0.00 N ATOM 0 H ASN A 27 -9.450 -3.770 1.571 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.087 -4.390 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.922 -5.858 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.276 -6.228 1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.279 -8.147 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.531 -7.165 2.459 1.00 0.00 H new ATOM 417 N ARG A 28 -11.616 -3.944 3.553 1.00 0.00 N ATOM 418 CA ARG A 28 -12.339 -3.876 4.854 1.00 0.00 C ATOM 419 C ARG A 28 -13.125 -2.567 4.914 1.00 0.00 C ATOM 420 O ARG A 28 -14.023 -2.399 5.714 1.00 0.00 O ATOM 421 CB ARG A 28 -11.337 -3.925 6.012 1.00 0.00 C ATOM 422 CG ARG A 28 -10.555 -2.606 6.083 1.00 0.00 C ATOM 423 CD ARG A 28 -10.686 -2.006 7.487 1.00 0.00 C ATOM 424 NE ARG A 28 -12.114 -1.697 7.755 1.00 0.00 N ATOM 425 CZ ARG A 28 -12.438 -0.624 8.424 1.00 0.00 C ATOM 426 NH1 ARG A 28 -11.915 -0.405 9.599 1.00 0.00 N ATOM 427 NH2 ARG A 28 -13.284 0.230 7.916 1.00 0.00 N ATOM 0 H ARG A 28 -10.689 -3.518 3.546 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.019 -4.724 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.862 -4.097 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.649 -4.759 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.505 -2.781 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.936 -1.905 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.307 -2.706 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.085 -1.100 7.566 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.843 -2.325 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.253 -1.072 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.168 0.433 10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.692 0.059 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.538 1.069 8.438 1.00 0.00 H new ATOM 441 N ILE A 29 -12.778 -1.638 4.069 1.00 0.00 N ATOM 442 CA ILE A 29 -13.479 -0.327 4.055 1.00 0.00 C ATOM 443 C ILE A 29 -14.398 -0.254 2.837 1.00 0.00 C ATOM 444 O ILE A 29 -15.447 0.359 2.867 1.00 0.00 O ATOM 445 CB ILE A 29 -12.431 0.780 3.963 1.00 0.00 C ATOM 446 CG1 ILE A 29 -11.729 0.923 5.314 1.00 0.00 C ATOM 447 CG2 ILE A 29 -13.104 2.103 3.597 1.00 0.00 C ATOM 448 CD1 ILE A 29 -10.390 1.637 5.122 1.00 0.00 C ATOM 0 H ILE A 29 -12.031 -1.733 3.381 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.073 -0.210 4.961 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.702 0.524 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.357 1.486 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.569 -0.059 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.351 2.889 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.606 2.002 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.836 2.363 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.890 1.739 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.762 1.056 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.563 2.626 4.697 1.00 0.00 H new ATOM 460 N LYS A 30 -13.998 -0.867 1.761 1.00 0.00 N ATOM 461 CA LYS A 30 -14.828 -0.832 0.524 1.00 0.00 C ATOM 462 C LYS A 30 -16.090 -1.671 0.721 1.00 0.00 C ATOM 463 O LYS A 30 -17.141 -1.352 0.200 1.00 0.00 O ATOM 464 CB LYS A 30 -14.024 -1.391 -0.652 1.00 0.00 C ATOM 465 CG LYS A 30 -14.877 -1.345 -1.921 1.00 0.00 C ATOM 466 CD LYS A 30 -14.762 -2.678 -2.663 1.00 0.00 C ATOM 467 CE LYS A 30 -15.423 -2.557 -4.037 1.00 0.00 C ATOM 468 NZ LYS A 30 -15.190 -3.808 -4.812 1.00 0.00 N ATOM 0 H LYS A 30 -13.128 -1.394 1.683 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.110 0.200 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.113 -0.810 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.719 -2.416 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.918 -1.148 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.547 -0.529 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.714 -2.954 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.240 -3.470 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.493 -2.381 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.014 -1.702 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.639 -3.726 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.168 -3.957 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.600 -4.615 -4.300 1.00 0.00 H new