USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 172 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 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 218 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 68:sc= 1.06 USER MOD Single : A 228 SER OG : rot 180:sc= 0 USER MOD Single : A 231 SER OG : rot 70:sc= 0.548 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N TRP A 213 6.577 -0.934 8.907 1.00 0.00 N ATOM 125 CA TRP A 213 7.107 -0.940 7.564 1.00 0.00 C ATOM 126 C TRP A 213 6.167 -1.719 6.689 1.00 0.00 C ATOM 127 O TRP A 213 6.064 -1.467 5.490 1.00 0.00 O ATOM 128 CB TRP A 213 8.500 -1.591 7.468 1.00 0.00 C ATOM 129 CG TRP A 213 9.591 -0.746 8.089 1.00 0.00 C ATOM 130 CD1 TRP A 213 10.156 -0.869 9.327 1.00 0.00 C ATOM 131 CD2 TRP A 213 10.245 0.378 7.461 1.00 0.00 C ATOM 132 NE1 TRP A 213 11.109 0.095 9.508 1.00 0.00 N ATOM 133 CE2 TRP A 213 11.178 0.867 8.376 1.00 0.00 C ATOM 134 CE3 TRP A 213 10.105 0.969 6.237 1.00 0.00 C ATOM 135 CZ2 TRP A 213 11.969 1.938 8.083 1.00 0.00 C ATOM 136 CZ3 TRP A 213 10.904 2.053 5.935 1.00 0.00 C ATOM 137 CH2 TRP A 213 11.825 2.532 6.847 1.00 0.00 C ATOM 0 HA TRP A 213 7.205 0.098 7.248 1.00 0.00 H new ATOM 0 HB2 TRP A 213 8.476 -2.563 7.961 1.00 0.00 H new ATOM 0 HB3 TRP A 213 8.740 -1.771 6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 213 9.889 -1.619 10.057 1.00 0.00 H new ATOM 0 HE1 TRP A 213 11.676 0.220 10.347 1.00 0.00 H new ATOM 0 HE3 TRP A 213 9.386 0.597 5.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 213 12.688 2.310 8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 213 10.808 2.534 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 213 12.439 3.382 6.589 1.00 0.00 H new ATOM 148 N PHE A 214 5.453 -2.697 7.286 1.00 0.00 N ATOM 149 CA PHE A 214 4.525 -3.506 6.533 1.00 0.00 C ATOM 150 C PHE A 214 3.399 -2.630 6.059 1.00 0.00 C ATOM 151 O PHE A 214 2.881 -2.814 4.960 1.00 0.00 O ATOM 152 CB PHE A 214 3.915 -4.654 7.361 1.00 0.00 C ATOM 153 CG PHE A 214 4.897 -5.721 7.721 1.00 0.00 C ATOM 154 CD1 PHE A 214 5.557 -5.688 8.931 1.00 0.00 C ATOM 155 CD2 PHE A 214 5.159 -6.752 6.844 1.00 0.00 C ATOM 156 CE1 PHE A 214 6.462 -6.670 9.259 1.00 0.00 C ATOM 157 CE2 PHE A 214 6.063 -7.734 7.173 1.00 0.00 C ATOM 158 CZ PHE A 214 6.715 -7.694 8.380 1.00 0.00 C ATOM 0 H PHE A 214 5.514 -2.929 8.277 1.00 0.00 H new ATOM 0 HA PHE A 214 5.082 -3.948 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 214 3.486 -4.243 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 214 3.096 -5.101 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 214 5.362 -4.885 9.626 1.00 0.00 H new ATOM 0 HD2 PHE A 214 4.650 -6.788 5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 214 6.974 -6.636 10.209 1.00 0.00 H new ATOM 0 HE2 PHE A 214 6.261 -8.539 6.480 1.00 0.00 H new ATOM 0 HZ PHE A 214 7.425 -8.466 8.638 1.00 0.00 H new ATOM 168 N LEU A 215 2.996 -1.640 6.887 1.00 0.00 N ATOM 169 CA LEU A 215 1.914 -0.763 6.515 1.00 0.00 C ATOM 170 C LEU A 215 2.381 0.106 5.382 1.00 0.00 C ATOM 171 O LEU A 215 1.647 0.348 4.424 1.00 0.00 O ATOM 172 CB LEU A 215 1.457 0.149 7.674 1.00 0.00 C ATOM 173 CG LEU A 215 0.289 1.078 7.292 1.00 0.00 C ATOM 174 CD1 LEU A 215 -0.955 0.277 6.875 1.00 0.00 C ATOM 175 CD2 LEU A 215 -0.039 2.055 8.434 1.00 0.00 C ATOM 0 H LEU A 215 3.410 -1.447 7.799 1.00 0.00 H new ATOM 0 HA LEU A 215 1.065 -1.385 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 215 1.158 -0.471 8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 215 2.301 0.754 8.006 1.00 0.00 H new ATOM 0 HG LEU A 215 0.606 1.664 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 215 -1.759 0.964 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 215 -0.715 -0.346 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 215 -1.275 -0.356 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 215 -0.867 2.698 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 215 -0.319 1.493 9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 215 0.836 2.668 8.651 1.00 0.00 H new ATOM 187 N THR A 216 3.635 0.603 5.475 1.00 0.00 N ATOM 188 CA THR A 216 4.176 1.459 4.443 1.00 0.00 C ATOM 189 C THR A 216 4.272 0.682 3.158 1.00 0.00 C ATOM 190 O THR A 216 3.895 1.176 2.099 1.00 0.00 O ATOM 191 CB THR A 216 5.550 1.982 4.772 1.00 0.00 C ATOM 192 OG1 THR A 216 5.503 2.743 5.971 1.00 0.00 O ATOM 193 CG2 THR A 216 6.049 2.866 3.616 1.00 0.00 C ATOM 0 H THR A 216 4.270 0.418 6.252 1.00 0.00 H new ATOM 0 HA THR A 216 3.502 2.311 4.355 1.00 0.00 H new ATOM 0 HB THR A 216 6.232 1.143 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 216 6.399 3.079 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 216 7.043 3.246 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 216 6.093 2.277 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.365 3.703 3.476 1.00 0.00 H new ATOM 201 N GLY A 217 4.785 -0.568 3.227 1.00 0.00 N ATOM 202 CA GLY A 217 4.931 -1.377 2.035 1.00 0.00 C ATOM 203 C GLY A 217 3.579 -1.640 1.435 1.00 0.00 C ATOM 204 O GLY A 217 3.414 -1.588 0.217 1.00 0.00 O ATOM 0 H GLY A 217 5.095 -1.016 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 217 5.567 -0.866 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 217 5.420 -2.319 2.281 1.00 0.00 H new ATOM 208 N MET A 218 2.573 -1.934 2.285 1.00 0.00 N ATOM 209 CA MET A 218 1.242 -2.207 1.793 1.00 0.00 C ATOM 210 C MET A 218 0.701 -0.964 1.137 1.00 0.00 C ATOM 211 O MET A 218 0.080 -1.027 0.079 1.00 0.00 O ATOM 212 CB MET A 218 0.266 -2.624 2.911 1.00 0.00 C ATOM 213 CG MET A 218 -1.123 -2.998 2.382 1.00 0.00 C ATOM 214 SD MET A 218 -2.241 -3.587 3.690 1.00 0.00 S ATOM 215 CE MET A 218 -3.650 -3.865 2.579 1.00 0.00 C ATOM 0 H MET A 218 2.672 -1.984 3.299 1.00 0.00 H new ATOM 0 HA MET A 218 1.321 -3.036 1.090 1.00 0.00 H new ATOM 0 HB2 MET A 218 0.683 -3.473 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 218 0.169 -1.806 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 218 -1.567 -2.130 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 218 -1.021 -3.773 1.622 1.00 0.00 H new ATOM 0 HE1 MET A 218 -4.497 -4.241 3.153 1.00 0.00 H new ATOM 0 HE2 MET A 218 -3.925 -2.926 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 218 -3.375 -4.595 1.818 1.00 0.00 H new ATOM 225 N THR A 219 0.932 0.205 1.770 1.00 0.00 N ATOM 226 CA THR A 219 0.439 1.456 1.233 1.00 0.00 C ATOM 227 C THR A 219 1.093 1.716 -0.097 1.00 0.00 C ATOM 228 O THR A 219 0.427 2.101 -1.053 1.00 0.00 O ATOM 229 CB THR A 219 0.729 2.634 2.130 1.00 0.00 C ATOM 230 OG1 THR A 219 0.111 2.441 3.396 1.00 0.00 O ATOM 231 CG2 THR A 219 0.185 3.915 1.474 1.00 0.00 C ATOM 0 H THR A 219 1.453 0.292 2.643 1.00 0.00 H new ATOM 0 HA THR A 219 -0.643 1.356 1.142 1.00 0.00 H new ATOM 0 HB THR A 219 1.806 2.726 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.553 1.704 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.392 4.770 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.669 4.063 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 219 -0.891 3.821 1.330 1.00 0.00 H new ATOM 239 N VAL A 220 2.424 1.504 -0.188 1.00 0.00 N ATOM 240 CA VAL A 220 3.133 1.750 -1.426 1.00 0.00 C ATOM 241 C VAL A 220 2.598 0.833 -2.496 1.00 0.00 C ATOM 242 O VAL A 220 2.341 1.264 -3.618 1.00 0.00 O ATOM 243 CB VAL A 220 4.620 1.519 -1.307 1.00 0.00 C ATOM 244 CG1 VAL A 220 5.254 1.584 -2.711 1.00 0.00 C ATOM 245 CG2 VAL A 220 5.202 2.579 -0.354 1.00 0.00 C ATOM 0 H VAL A 220 3.007 1.168 0.579 1.00 0.00 H new ATOM 0 HA VAL A 220 2.975 2.799 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 220 4.838 0.534 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 220 6.328 1.418 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 220 4.813 0.815 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 220 5.069 2.565 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 220 6.277 2.428 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 220 5.010 3.574 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 220 4.731 2.486 0.625 1.00 0.00 H new ATOM 255 N ALA A 221 2.412 -0.463 -2.166 1.00 0.00 N ATOM 256 CA ALA A 221 1.914 -1.407 -3.141 1.00 0.00 C ATOM 257 C ALA A 221 0.533 -0.992 -3.575 1.00 0.00 C ATOM 258 O ALA A 221 0.198 -1.058 -4.758 1.00 0.00 O ATOM 259 CB ALA A 221 1.829 -2.843 -2.593 1.00 0.00 C ATOM 0 H ALA A 221 2.601 -0.857 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 221 2.618 -1.402 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 221 1.449 -3.507 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 221 2.821 -3.175 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 221 1.157 -2.866 -1.735 1.00 0.00 H new ATOM 265 N GLY A 222 -0.306 -0.549 -2.612 1.00 0.00 N ATOM 266 CA GLY A 222 -1.654 -0.135 -2.931 1.00 0.00 C ATOM 267 C GLY A 222 -1.610 1.059 -3.840 1.00 0.00 C ATOM 268 O GLY A 222 -2.395 1.158 -4.778 1.00 0.00 O ATOM 0 H GLY A 222 -0.060 -0.476 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -2.192 -0.952 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -2.196 0.110 -2.018 1.00 0.00 H new ATOM 272 N VAL A 223 -0.686 2.007 -3.572 1.00 0.00 N ATOM 273 CA VAL A 223 -0.583 3.198 -4.388 1.00 0.00 C ATOM 274 C VAL A 223 -0.189 2.807 -5.788 1.00 0.00 C ATOM 275 O VAL A 223 -0.741 3.318 -6.760 1.00 0.00 O ATOM 276 CB VAL A 223 0.437 4.182 -3.866 1.00 0.00 C ATOM 277 CG1 VAL A 223 0.636 5.301 -4.909 1.00 0.00 C ATOM 278 CG2 VAL A 223 -0.061 4.730 -2.517 1.00 0.00 C ATOM 0 H VAL A 223 -0.017 1.957 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 223 -1.559 3.684 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 223 1.403 3.704 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 223 1.371 6.016 -4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 223 0.989 4.868 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 223 -0.312 5.811 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 223 0.664 5.443 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 223 -1.020 5.228 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 223 -0.180 3.908 -1.812 1.00 0.00 H new ATOM 288 N VAL A 224 0.785 1.881 -5.924 1.00 0.00 N ATOM 289 CA VAL A 224 1.235 1.469 -7.238 1.00 0.00 C ATOM 290 C VAL A 224 0.086 0.832 -7.979 1.00 0.00 C ATOM 291 O VAL A 224 -0.166 1.155 -9.141 1.00 0.00 O ATOM 292 CB VAL A 224 2.372 0.477 -7.183 1.00 0.00 C ATOM 293 CG1 VAL A 224 2.628 -0.072 -8.601 1.00 0.00 C ATOM 294 CG2 VAL A 224 3.608 1.185 -6.600 1.00 0.00 C ATOM 0 H VAL A 224 1.257 1.422 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 224 1.594 2.363 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 224 2.132 -0.370 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 224 3.448 -0.790 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 224 1.728 -0.565 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 224 2.889 0.750 -9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 224 4.441 0.483 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 224 3.879 2.027 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 224 3.381 1.547 -5.597 1.00 0.00 H new ATOM 304 N LEU A 225 -0.645 -0.094 -7.321 1.00 0.00 N ATOM 305 CA LEU A 225 -1.756 -0.758 -7.967 1.00 0.00 C ATOM 306 C LEU A 225 -2.821 0.251 -8.307 1.00 0.00 C ATOM 307 O LEU A 225 -3.438 0.176 -9.367 1.00 0.00 O ATOM 308 CB LEU A 225 -2.401 -1.846 -7.084 1.00 0.00 C ATOM 309 CG LEU A 225 -1.492 -3.072 -6.891 1.00 0.00 C ATOM 310 CD1 LEU A 225 -2.059 -4.022 -5.823 1.00 0.00 C ATOM 311 CD2 LEU A 225 -1.257 -3.811 -8.221 1.00 0.00 C ATOM 0 H LEU A 225 -0.475 -0.383 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 225 -1.354 -1.235 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -2.642 -1.421 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -3.341 -2.164 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 225 -0.526 -2.712 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -1.395 -4.879 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -2.138 -3.495 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -3.047 -4.367 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -0.611 -4.672 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -2.212 -4.148 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -0.781 -3.136 -8.933 1.00 0.00 H new ATOM 323 N LEU A 226 -3.056 1.231 -7.410 1.00 0.00 N ATOM 324 CA LEU A 226 -4.075 2.228 -7.644 1.00 0.00 C ATOM 325 C LEU A 226 -3.678 3.062 -8.835 1.00 0.00 C ATOM 326 O LEU A 226 -4.508 3.381 -9.686 1.00 0.00 O ATOM 327 CB LEU A 226 -4.271 3.161 -6.430 1.00 0.00 C ATOM 328 CG LEU A 226 -5.367 4.217 -6.642 1.00 0.00 C ATOM 329 CD1 LEU A 226 -6.738 3.563 -6.892 1.00 0.00 C ATOM 330 CD2 LEU A 226 -5.427 5.196 -5.457 1.00 0.00 C ATOM 0 H LEU A 226 -2.550 1.338 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 226 -5.015 1.706 -7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 226 -4.521 2.560 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 226 -3.329 3.664 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 226 -5.108 4.786 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 226 -7.490 4.339 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 226 -6.685 2.937 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 226 -7.011 2.950 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 226 -6.211 5.933 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 226 -5.645 4.646 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 226 -4.468 5.704 -5.356 1.00 0.00 H new ATOM 342 N GLY A 227 -2.383 3.440 -8.913 1.00 0.00 N ATOM 343 CA GLY A 227 -1.905 4.247 -10.014 1.00 0.00 C ATOM 344 C GLY A 227 -2.081 3.486 -11.296 1.00 0.00 C ATOM 345 O GLY A 227 -2.436 4.062 -12.323 1.00 0.00 O ATOM 0 H GLY A 227 -1.671 3.193 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -2.455 5.187 -10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -0.855 4.498 -9.867 1.00 0.00 H new ATOM 349 N SER A 228 -1.813 2.162 -11.268 1.00 0.00 N ATOM 350 CA SER A 228 -1.953 1.351 -12.458 1.00 0.00 C ATOM 351 C SER A 228 -3.400 1.359 -12.885 1.00 0.00 C ATOM 352 O SER A 228 -3.700 1.483 -14.069 1.00 0.00 O ATOM 353 CB SER A 228 -1.524 -0.116 -12.245 1.00 0.00 C ATOM 354 OG SER A 228 -1.661 -0.860 -13.452 1.00 0.00 O ATOM 0 H SER A 228 -1.504 1.655 -10.439 1.00 0.00 H new ATOM 0 HA SER A 228 -1.299 1.782 -13.216 1.00 0.00 H new ATOM 0 HB2 SER A 228 -0.489 -0.152 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 228 -2.133 -0.568 -11.462 1.00 0.00 H new ATOM 0 HG SER A 228 -1.383 -1.787 -13.298 1.00 0.00 H new ATOM 360 N LEU A 229 -4.330 1.210 -11.915 1.00 0.00 N ATOM 361 CA LEU A 229 -5.743 1.194 -12.239 1.00 0.00 C ATOM 362 C LEU A 229 -6.135 2.506 -12.871 1.00 0.00 C ATOM 363 O LEU A 229 -6.904 2.527 -13.832 1.00 0.00 O ATOM 364 CB LEU A 229 -6.644 0.977 -11.005 1.00 0.00 C ATOM 365 CG LEU A 229 -6.547 -0.451 -10.438 1.00 0.00 C ATOM 366 CD1 LEU A 229 -7.258 -0.559 -9.079 1.00 0.00 C ATOM 367 CD2 LEU A 229 -7.093 -1.488 -11.433 1.00 0.00 C ATOM 0 H LEU A 229 -4.117 1.102 -10.923 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.891 0.357 -12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -6.367 1.691 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -7.679 1.186 -11.276 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.491 -0.670 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -7.173 -1.579 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -6.795 0.128 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -8.311 -0.303 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -7.010 -2.485 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -8.140 -1.271 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -6.517 -1.443 -12.357 1.00 0.00 H new ATOM 379 N PHE A 230 -5.617 3.639 -12.351 1.00 0.00 N ATOM 380 CA PHE A 230 -5.958 4.924 -12.926 1.00 0.00 C ATOM 381 C PHE A 230 -5.351 5.032 -14.299 1.00 0.00 C ATOM 382 O PHE A 230 -5.958 5.592 -15.208 1.00 0.00 O ATOM 383 CB PHE A 230 -5.469 6.131 -12.097 1.00 0.00 C ATOM 384 CG PHE A 230 -6.377 6.497 -10.966 1.00 0.00 C ATOM 385 CD1 PHE A 230 -5.946 6.412 -9.660 1.00 0.00 C ATOM 386 CD2 PHE A 230 -7.661 6.934 -11.221 1.00 0.00 C ATOM 387 CE1 PHE A 230 -6.787 6.758 -8.627 1.00 0.00 C ATOM 388 CE2 PHE A 230 -8.499 7.278 -10.187 1.00 0.00 C ATOM 389 CZ PHE A 230 -8.062 7.189 -8.890 1.00 0.00 C ATOM 0 H PHE A 230 -4.980 3.675 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 230 -7.047 4.962 -12.951 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -4.479 5.908 -11.698 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -5.361 6.992 -12.756 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -4.943 6.072 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -8.010 7.006 -12.240 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -6.442 6.690 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -9.502 7.619 -10.396 1.00 0.00 H new ATOM 0 HZ PHE A 230 -8.721 7.458 -8.077 1.00 0.00 H new ATOM 399 N SER A 231 -4.120 4.502 -14.474 1.00 0.00 N ATOM 400 CA SER A 231 -3.455 4.573 -15.758 1.00 0.00 C ATOM 401 C SER A 231 -4.245 3.789 -16.772 1.00 0.00 C ATOM 402 O SER A 231 -4.409 4.226 -17.909 1.00 0.00 O ATOM 403 CB SER A 231 -2.025 4.000 -15.733 1.00 0.00 C ATOM 404 OG SER A 231 -1.197 4.789 -14.888 1.00 0.00 O ATOM 0 H SER A 231 -3.588 4.030 -13.743 1.00 0.00 H new ATOM 0 HA SER A 231 -3.392 5.630 -16.016 1.00 0.00 H new ATOM 0 HB2 SER A 231 -2.044 2.970 -15.377 1.00 0.00 H new ATOM 0 HB3 SER A 231 -1.615 3.981 -16.743 1.00 0.00 H new ATOM 0 HG SER A 231 -1.464 4.659 -13.954 1.00 0.00 H new ATOM 410 N ARG A 232 -4.738 2.590 -16.382 1.00 0.00 N ATOM 411 CA ARG A 232 -5.508 1.776 -17.298 1.00 0.00 C ATOM 412 C ARG A 232 -6.799 2.483 -17.600 1.00 0.00 C ATOM 413 O ARG A 232 -7.273 2.468 -18.736 1.00 0.00 O ATOM 414 CB ARG A 232 -5.846 0.380 -16.737 1.00 0.00 C ATOM 415 CG ARG A 232 -4.610 -0.513 -16.585 1.00 0.00 C ATOM 416 CD ARG A 232 -4.003 -0.915 -17.932 1.00 0.00 C ATOM 417 NE ARG A 232 -2.881 -1.866 -17.679 1.00 0.00 N ATOM 418 CZ ARG A 232 -2.145 -2.359 -18.719 1.00 0.00 C ATOM 419 NH1 ARG A 232 -2.436 -1.989 -20.000 1.00 0.00 N ATOM 420 NH2 ARG A 232 -1.118 -3.224 -18.476 1.00 0.00 N ATOM 0 H ARG A 232 -4.610 2.187 -15.454 1.00 0.00 H new ATOM 0 HA ARG A 232 -4.896 1.633 -18.189 1.00 0.00 H new ATOM 0 HB2 ARG A 232 -6.330 0.491 -15.767 1.00 0.00 H new ATOM 0 HB3 ARG A 232 -6.563 -0.108 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 232 -3.859 0.011 -15.994 1.00 0.00 H new ATOM 0 HG3 ARG A 232 -4.882 -1.411 -16.031 1.00 0.00 H new ATOM 0 HD2 ARG A 232 -4.759 -1.380 -18.565 1.00 0.00 H new ATOM 0 HD3 ARG A 232 -3.641 -0.034 -18.463 1.00 0.00 H new ATOM 0 HE ARG A 232 -2.662 -2.150 -16.724 1.00 0.00 H new ATOM 0 HH11 ARG A 232 -3.204 -1.343 -20.182 1.00 0.00 H new ATOM 0 HH12 ARG A 232 -1.885 -2.358 -20.775 1.00 0.00 H new ATOM 0 HH21 ARG A 232 -0.901 -3.502 -17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 232 -0.568 -3.593 -19.251 1.00 0.00 H new ATOM 434 N LYS A 233 -7.408 3.107 -16.566 1.00 0.00 N ATOM 435 CA LYS A 233 -8.651 3.824 -16.752 1.00 0.00 C ATOM 436 C LYS A 233 -9.730 2.821 -17.207 1.00 0.00 C ATOM 437 O LYS A 233 -10.493 3.149 -18.158 1.00 0.00 O ATOM 438 CB LYS A 233 -8.547 4.967 -17.790 1.00 0.00 C ATOM 439 CG LYS A 233 -9.526 6.111 -17.509 1.00 0.00 C ATOM 440 CD LYS A 233 -9.419 7.238 -18.539 1.00 0.00 C ATOM 441 CE LYS A 233 -10.449 8.344 -18.305 1.00 0.00 C ATOM 442 NZ LYS A 233 -10.326 9.389 -19.345 1.00 0.00 N ATOM 443 OXT LYS A 233 -9.811 1.720 -16.594 1.00 0.00 O ATOM 0 H LYS A 233 -7.049 3.118 -15.611 1.00 0.00 H new ATOM 0 HA LYS A 233 -8.909 4.287 -15.800 1.00 0.00 H new ATOM 0 HB2 LYS A 233 -7.529 5.358 -17.794 1.00 0.00 H new ATOM 0 HB3 LYS A 233 -8.738 4.567 -18.786 1.00 0.00 H new ATOM 0 HG2 LYS A 233 -10.544 5.721 -17.505 1.00 0.00 H new ATOM 0 HG3 LYS A 233 -9.335 6.513 -16.514 1.00 0.00 H new ATOM 0 HD2 LYS A 233 -8.417 7.665 -18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 233 -9.554 6.826 -19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 233 -11.454 7.923 -18.320 1.00 0.00 H new ATOM 0 HE3 LYS A 233 -10.302 8.784 -17.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 -11.031 10.134 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 -9.372 9.801 -19.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 -10.488 8.967 -20.282 1.00 0.00 H new