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= 1.18 USER MOD Single : A 228 SER OG : rot 180:sc= 0 USER MOD Single : A 231 SER OG : rot 72:sc= 0.882 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N TRP A 213 6.610 -0.731 8.870 1.00 0.00 N ATOM 125 CA TRP A 213 7.189 -0.957 7.566 1.00 0.00 C ATOM 126 C TRP A 213 6.204 -1.721 6.722 1.00 0.00 C ATOM 127 O TRP A 213 6.033 -1.439 5.538 1.00 0.00 O ATOM 128 CB TRP A 213 8.506 -1.761 7.624 1.00 0.00 C ATOM 129 CG TRP A 213 9.142 -1.974 6.266 1.00 0.00 C ATOM 130 CD1 TRP A 213 9.190 -3.121 5.524 1.00 0.00 C ATOM 131 CD2 TRP A 213 9.831 -0.968 5.490 1.00 0.00 C ATOM 132 NE1 TRP A 213 9.857 -2.897 4.351 1.00 0.00 N ATOM 133 CE2 TRP A 213 10.256 -1.584 4.313 1.00 0.00 C ATOM 134 CE3 TRP A 213 10.098 0.354 5.713 1.00 0.00 C ATOM 135 CZ2 TRP A 213 10.944 -0.897 3.358 1.00 0.00 C ATOM 136 CZ3 TRP A 213 10.794 1.054 4.748 1.00 0.00 C ATOM 137 CH2 TRP A 213 11.212 0.436 3.584 1.00 0.00 C ATOM 0 HA TRP A 213 7.416 0.020 7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 213 9.213 -1.240 8.270 1.00 0.00 H new ATOM 0 HB3 TRP A 213 8.311 -2.731 8.082 1.00 0.00 H new ATOM 0 HD1 TRP A 213 8.763 -4.067 5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 213 10.030 -3.591 3.624 1.00 0.00 H new ATOM 0 HE3 TRP A 213 9.773 0.839 6.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 213 11.270 -1.383 2.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 213 11.015 2.099 4.905 1.00 0.00 H new ATOM 0 HH2 TRP A 213 11.755 1.004 2.843 1.00 0.00 H new ATOM 148 N PHE A 214 5.530 -2.721 7.330 1.00 0.00 N ATOM 149 CA PHE A 214 4.578 -3.528 6.602 1.00 0.00 C ATOM 150 C PHE A 214 3.445 -2.661 6.122 1.00 0.00 C ATOM 151 O PHE A 214 2.949 -2.844 5.013 1.00 0.00 O ATOM 152 CB PHE A 214 3.976 -4.662 7.453 1.00 0.00 C ATOM 153 CG PHE A 214 4.946 -5.756 7.764 1.00 0.00 C ATOM 154 CD1 PHE A 214 5.675 -5.736 8.934 1.00 0.00 C ATOM 155 CD2 PHE A 214 5.127 -6.799 6.882 1.00 0.00 C ATOM 156 CE1 PHE A 214 6.568 -6.742 9.216 1.00 0.00 C ATOM 157 CE2 PHE A 214 6.020 -7.806 7.165 1.00 0.00 C ATOM 158 CZ PHE A 214 6.740 -7.777 8.333 1.00 0.00 C ATOM 0 H PHE A 214 5.639 -2.972 8.313 1.00 0.00 H new ATOM 0 HA PHE A 214 5.124 -3.976 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 214 3.601 -4.244 8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 214 3.120 -5.085 6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 214 5.543 -4.924 9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 214 4.563 -6.826 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 214 7.135 -6.717 10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 214 6.155 -8.620 6.468 1.00 0.00 H new ATOM 0 HZ PHE A 214 7.441 -8.568 8.556 1.00 0.00 H new ATOM 168 N LEU A 215 3.014 -1.679 6.944 1.00 0.00 N ATOM 169 CA LEU A 215 1.914 -0.828 6.551 1.00 0.00 C ATOM 170 C LEU A 215 2.363 0.027 5.396 1.00 0.00 C ATOM 171 O LEU A 215 1.626 0.225 4.432 1.00 0.00 O ATOM 172 CB LEU A 215 1.431 0.100 7.684 1.00 0.00 C ATOM 173 CG LEU A 215 0.247 0.997 7.272 1.00 0.00 C ATOM 174 CD1 LEU A 215 -0.975 0.160 6.857 1.00 0.00 C ATOM 175 CD2 LEU A 215 -0.116 1.988 8.390 1.00 0.00 C ATOM 0 H LEU A 215 3.413 -1.473 7.860 1.00 0.00 H new ATOM 0 HA LEU A 215 1.080 -1.477 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 215 1.138 -0.506 8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 215 2.260 0.730 8.007 1.00 0.00 H new ATOM 0 HG LEU A 215 0.562 1.575 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 215 -1.791 0.824 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 215 -0.711 -0.474 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 215 -1.290 -0.464 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 215 -0.954 2.607 8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 215 -0.394 1.437 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 215 0.743 2.624 8.606 1.00 0.00 H new ATOM 187 N THR A 216 3.603 0.555 5.478 1.00 0.00 N ATOM 188 CA THR A 216 4.124 1.401 4.427 1.00 0.00 C ATOM 189 C THR A 216 4.236 0.601 3.158 1.00 0.00 C ATOM 190 O THR A 216 3.864 1.073 2.088 1.00 0.00 O ATOM 191 CB THR A 216 5.487 1.964 4.743 1.00 0.00 C ATOM 192 OG1 THR A 216 5.420 2.762 5.917 1.00 0.00 O ATOM 193 CG2 THR A 216 5.972 2.820 3.560 1.00 0.00 C ATOM 0 H THR A 216 4.242 0.402 6.258 1.00 0.00 H new ATOM 0 HA THR A 216 3.430 2.235 4.323 1.00 0.00 H new ATOM 0 HB THR A 216 6.186 1.145 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 216 6.308 3.123 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 216 6.957 3.228 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 216 6.032 2.202 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.271 3.637 3.391 1.00 0.00 H new ATOM 201 N GLY A 217 4.755 -0.644 3.250 1.00 0.00 N ATOM 202 CA GLY A 217 4.918 -1.470 2.071 1.00 0.00 C ATOM 203 C GLY A 217 3.577 -1.739 1.446 1.00 0.00 C ATOM 204 O GLY A 217 3.434 -1.679 0.225 1.00 0.00 O ATOM 0 H GLY A 217 5.059 -1.078 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 217 5.570 -0.971 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 217 5.400 -2.410 2.339 1.00 0.00 H new ATOM 208 N MET A 218 2.554 -2.051 2.272 1.00 0.00 N ATOM 209 CA MET A 218 1.237 -2.327 1.739 1.00 0.00 C ATOM 210 C MET A 218 0.686 -1.074 1.114 1.00 0.00 C ATOM 211 O MET A 218 0.045 -1.123 0.068 1.00 0.00 O ATOM 212 CB MET A 218 0.237 -2.806 2.809 1.00 0.00 C ATOM 213 CG MET A 218 0.553 -4.215 3.320 1.00 0.00 C ATOM 214 SD MET A 218 -0.569 -4.754 4.645 1.00 0.00 S ATOM 215 CE MET A 218 0.133 -6.423 4.777 1.00 0.00 C ATOM 0 H MET A 218 2.629 -2.113 3.287 1.00 0.00 H new ATOM 0 HA MET A 218 1.355 -3.129 1.010 1.00 0.00 H new ATOM 0 HB2 MET A 218 0.245 -2.109 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 218 -0.770 -2.792 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 218 0.492 -4.919 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 218 1.579 -4.242 3.686 1.00 0.00 H new ATOM 0 HE1 MET A 218 -0.398 -6.981 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 218 0.030 -6.938 3.822 1.00 0.00 H new ATOM 0 HE3 MET A 218 1.189 -6.354 5.040 1.00 0.00 H new ATOM 225 N THR A 219 0.927 0.086 1.758 1.00 0.00 N ATOM 226 CA THR A 219 0.426 1.342 1.243 1.00 0.00 C ATOM 227 C THR A 219 1.067 1.620 -0.089 1.00 0.00 C ATOM 228 O THR A 219 0.393 2.015 -1.035 1.00 0.00 O ATOM 229 CB THR A 219 0.719 2.510 2.152 1.00 0.00 C ATOM 230 OG1 THR A 219 0.112 2.301 3.421 1.00 0.00 O ATOM 231 CG2 THR A 219 0.167 3.798 1.516 1.00 0.00 C ATOM 0 H THR A 219 1.461 0.162 2.624 1.00 0.00 H new ATOM 0 HA THR A 219 -0.656 1.240 1.161 1.00 0.00 H new ATOM 0 HB THR A 219 1.797 2.603 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.560 1.560 3.880 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.376 4.645 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.643 3.959 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 219 -0.910 3.703 1.379 1.00 0.00 H new ATOM 239 N VAL A 220 2.397 1.411 -0.191 1.00 0.00 N ATOM 240 CA VAL A 220 3.100 1.672 -1.431 1.00 0.00 C ATOM 241 C VAL A 220 2.563 0.765 -2.505 1.00 0.00 C ATOM 242 O VAL A 220 2.300 1.205 -3.623 1.00 0.00 O ATOM 243 CB VAL A 220 4.588 1.446 -1.321 1.00 0.00 C ATOM 244 CG1 VAL A 220 5.215 1.532 -2.727 1.00 0.00 C ATOM 245 CG2 VAL A 220 5.170 2.497 -0.358 1.00 0.00 C ATOM 0 H VAL A 220 2.985 1.067 0.568 1.00 0.00 H new ATOM 0 HA VAL A 220 2.938 2.722 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 220 4.812 0.457 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 220 6.291 1.370 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 220 4.774 0.769 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 220 5.024 2.518 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 220 6.246 2.349 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 220 4.973 3.496 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 220 4.704 2.391 0.622 1.00 0.00 H new ATOM 255 N ALA A 221 2.381 -0.535 -2.186 1.00 0.00 N ATOM 256 CA ALA A 221 1.882 -1.472 -3.168 1.00 0.00 C ATOM 257 C ALA A 221 0.498 -1.054 -3.595 1.00 0.00 C ATOM 258 O ALA A 221 0.160 -1.117 -4.777 1.00 0.00 O ATOM 259 CB ALA A 221 1.800 -2.912 -2.630 1.00 0.00 C ATOM 0 H ALA A 221 2.573 -0.937 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 221 2.583 -1.461 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 221 1.419 -3.571 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 221 2.793 -3.244 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 221 1.130 -2.942 -1.771 1.00 0.00 H new ATOM 265 N GLY A 222 -0.337 -0.618 -2.626 1.00 0.00 N ATOM 266 CA GLY A 222 -1.685 -0.201 -2.941 1.00 0.00 C ATOM 267 C GLY A 222 -1.640 1.004 -3.836 1.00 0.00 C ATOM 268 O GLY A 222 -2.410 1.106 -4.784 1.00 0.00 O ATOM 0 H GLY A 222 -0.089 -0.553 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -2.223 -1.012 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -2.228 0.033 -2.025 1.00 0.00 H new ATOM 272 N VAL A 223 -0.721 1.953 -3.551 1.00 0.00 N ATOM 273 CA VAL A 223 -0.619 3.154 -4.352 1.00 0.00 C ATOM 274 C VAL A 223 -0.236 2.779 -5.758 1.00 0.00 C ATOM 275 O VAL A 223 -0.795 3.301 -6.719 1.00 0.00 O ATOM 276 CB VAL A 223 0.409 4.128 -3.824 1.00 0.00 C ATOM 277 CG1 VAL A 223 0.605 5.258 -4.855 1.00 0.00 C ATOM 278 CG2 VAL A 223 -0.078 4.661 -2.465 1.00 0.00 C ATOM 0 H VAL A 223 -0.056 1.896 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 223 -1.592 3.643 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 223 1.375 3.645 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 223 1.345 5.966 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 223 0.950 4.834 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 223 -0.342 5.774 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 223 0.652 5.366 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 223 -1.036 5.164 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 223 -0.195 3.830 -1.769 1.00 0.00 H new ATOM 288 N VAL A 224 0.735 1.853 -5.910 1.00 0.00 N ATOM 289 CA VAL A 224 1.172 1.452 -7.229 1.00 0.00 C ATOM 290 C VAL A 224 0.016 0.823 -7.966 1.00 0.00 C ATOM 291 O VAL A 224 -0.232 1.138 -9.130 1.00 0.00 O ATOM 292 CB VAL A 224 2.307 0.457 -7.191 1.00 0.00 C ATOM 293 CG1 VAL A 224 2.561 -0.072 -8.617 1.00 0.00 C ATOM 294 CG2 VAL A 224 3.544 1.153 -6.596 1.00 0.00 C ATOM 0 H VAL A 224 1.213 1.386 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 224 1.528 2.350 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 224 2.065 -0.400 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 224 3.380 -0.791 -8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 224 1.660 -0.558 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 224 2.823 0.759 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 224 4.376 0.449 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 224 3.816 2.005 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 224 3.317 1.498 -5.587 1.00 0.00 H new ATOM 304 N LEU A 225 -0.724 -0.090 -7.299 1.00 0.00 N ATOM 305 CA LEU A 225 -1.842 -0.754 -7.935 1.00 0.00 C ATOM 306 C LEU A 225 -2.886 0.265 -8.323 1.00 0.00 C ATOM 307 O LEU A 225 -3.450 0.196 -9.415 1.00 0.00 O ATOM 308 CB LEU A 225 -2.509 -1.798 -7.014 1.00 0.00 C ATOM 309 CG LEU A 225 -3.698 -2.524 -7.675 1.00 0.00 C ATOM 310 CD1 LEU A 225 -3.261 -3.296 -8.932 1.00 0.00 C ATOM 311 CD2 LEU A 225 -4.405 -3.451 -6.674 1.00 0.00 C ATOM 0 H LEU A 225 -0.556 -0.369 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 225 -1.447 -1.268 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -1.764 -2.535 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -2.854 -1.304 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 225 -4.412 -1.763 -7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -4.125 -3.795 -9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -2.836 -2.601 -9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -2.512 -4.040 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -5.239 -3.950 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -3.700 -4.198 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -4.778 -2.864 -5.835 1.00 0.00 H new ATOM 323 N LEU A 226 -3.163 1.247 -7.438 1.00 0.00 N ATOM 324 CA LEU A 226 -4.170 2.239 -7.739 1.00 0.00 C ATOM 325 C LEU A 226 -3.692 3.095 -8.879 1.00 0.00 C ATOM 326 O LEU A 226 -4.467 3.453 -9.760 1.00 0.00 O ATOM 327 CB LEU A 226 -4.494 3.166 -6.549 1.00 0.00 C ATOM 328 CG LEU A 226 -5.258 2.448 -5.423 1.00 0.00 C ATOM 329 CD1 LEU A 226 -5.342 3.324 -4.162 1.00 0.00 C ATOM 330 CD2 LEU A 226 -6.656 2.008 -5.887 1.00 0.00 C ATOM 0 H LEU A 226 -2.705 1.358 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 226 -5.079 1.692 -7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 226 -3.566 3.574 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 226 -5.086 4.010 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 226 -4.698 1.549 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 226 -5.887 2.790 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 226 -4.336 3.551 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 226 -5.862 4.252 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 226 -7.169 1.504 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 226 -7.230 2.883 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 226 -6.561 1.325 -6.731 1.00 0.00 H new ATOM 342 N GLY A 227 -2.387 3.442 -8.883 1.00 0.00 N ATOM 343 CA GLY A 227 -1.841 4.273 -9.934 1.00 0.00 C ATOM 344 C GLY A 227 -1.977 3.560 -11.246 1.00 0.00 C ATOM 345 O GLY A 227 -2.303 4.173 -12.259 1.00 0.00 O ATOM 0 H GLY A 227 -1.714 3.155 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -2.366 5.228 -9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -0.793 4.493 -9.733 1.00 0.00 H new ATOM 349 N SER A 228 -1.709 2.237 -11.260 1.00 0.00 N ATOM 350 CA SER A 228 -1.816 1.474 -12.483 1.00 0.00 C ATOM 351 C SER A 228 -3.254 1.477 -12.930 1.00 0.00 C ATOM 352 O SER A 228 -3.543 1.647 -14.112 1.00 0.00 O ATOM 353 CB SER A 228 -1.367 0.006 -12.322 1.00 0.00 C ATOM 354 OG SER A 228 -1.474 -0.690 -13.561 1.00 0.00 O ATOM 0 H SER A 228 -1.423 1.698 -10.443 1.00 0.00 H new ATOM 0 HA SER A 228 -1.157 1.944 -13.213 1.00 0.00 H new ATOM 0 HB2 SER A 228 -0.337 -0.028 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A 228 -1.980 -0.487 -11.568 1.00 0.00 H new ATOM 0 HG SER A 228 -1.184 -1.618 -13.441 1.00 0.00 H new ATOM 360 N LEU A 229 -4.189 1.265 -11.979 1.00 0.00 N ATOM 361 CA LEU A 229 -5.600 1.238 -12.305 1.00 0.00 C ATOM 362 C LEU A 229 -6.017 2.571 -12.875 1.00 0.00 C ATOM 363 O LEU A 229 -6.724 2.627 -13.881 1.00 0.00 O ATOM 364 CB LEU A 229 -6.483 0.939 -11.074 1.00 0.00 C ATOM 365 CG LEU A 229 -7.989 0.903 -11.395 1.00 0.00 C ATOM 366 CD1 LEU A 229 -8.321 -0.196 -12.419 1.00 0.00 C ATOM 367 CD2 LEU A 229 -8.824 0.738 -10.115 1.00 0.00 C ATOM 0 H LEU A 229 -3.978 1.113 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.742 0.438 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -6.187 -0.020 -10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -6.300 1.697 -10.312 1.00 0.00 H new ATOM 0 HG LEU A 229 -8.251 1.860 -11.845 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -9.392 -0.193 -12.622 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -7.776 -0.008 -13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -8.031 -1.167 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -9.883 0.716 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -8.551 -0.194 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -8.631 1.575 -9.444 1.00 0.00 H new ATOM 379 N PHE A 230 -5.587 3.685 -12.242 1.00 0.00 N ATOM 380 CA PHE A 230 -5.963 4.997 -12.728 1.00 0.00 C ATOM 381 C PHE A 230 -5.334 5.229 -14.077 1.00 0.00 C ATOM 382 O PHE A 230 -5.952 5.820 -14.960 1.00 0.00 O ATOM 383 CB PHE A 230 -5.526 6.148 -11.797 1.00 0.00 C ATOM 384 CG PHE A 230 -6.405 6.322 -10.599 1.00 0.00 C ATOM 385 CD1 PHE A 230 -5.918 6.098 -9.329 1.00 0.00 C ATOM 386 CD2 PHE A 230 -7.720 6.712 -10.750 1.00 0.00 C ATOM 387 CE1 PHE A 230 -6.730 6.260 -8.231 1.00 0.00 C ATOM 388 CE2 PHE A 230 -8.531 6.873 -9.652 1.00 0.00 C ATOM 389 CZ PHE A 230 -8.036 6.646 -8.392 1.00 0.00 C ATOM 0 H PHE A 230 -4.993 3.687 -11.413 1.00 0.00 H new ATOM 0 HA PHE A 230 -7.052 5.004 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -4.505 5.965 -11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -5.514 7.078 -12.365 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -4.891 5.793 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -8.115 6.892 -11.739 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -6.338 6.083 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -9.559 7.178 -9.781 1.00 0.00 H new ATOM 0 HZ PHE A 230 -8.674 6.771 -7.529 1.00 0.00 H new ATOM 399 N SER A 231 -4.074 4.775 -14.260 1.00 0.00 N ATOM 400 CA SER A 231 -3.392 4.965 -15.524 1.00 0.00 C ATOM 401 C SER A 231 -4.119 4.200 -16.595 1.00 0.00 C ATOM 402 O SER A 231 -4.278 4.687 -17.713 1.00 0.00 O ATOM 403 CB SER A 231 -1.933 4.474 -15.507 1.00 0.00 C ATOM 404 OG SER A 231 -1.164 5.252 -14.600 1.00 0.00 O ATOM 0 H SER A 231 -3.530 4.284 -13.550 1.00 0.00 H new ATOM 0 HA SER A 231 -3.385 6.038 -15.716 1.00 0.00 H new ATOM 0 HB2 SER A 231 -1.898 3.424 -15.217 1.00 0.00 H new ATOM 0 HB3 SER A 231 -1.507 4.542 -16.508 1.00 0.00 H new ATOM 0 HG SER A 231 -1.415 5.025 -13.680 1.00 0.00 H new ATOM 410 N ARG A 232 -4.557 2.960 -16.276 1.00 0.00 N ATOM 411 CA ARG A 232 -5.267 2.149 -17.240 1.00 0.00 C ATOM 412 C ARG A 232 -6.554 2.846 -17.590 1.00 0.00 C ATOM 413 O ARG A 232 -6.924 2.937 -18.759 1.00 0.00 O ATOM 414 CB ARG A 232 -5.605 0.742 -16.702 1.00 0.00 C ATOM 415 CG ARG A 232 -6.354 -0.132 -17.717 1.00 0.00 C ATOM 416 CD ARG A 232 -5.533 -0.403 -18.981 1.00 0.00 C ATOM 417 NE ARG A 232 -6.311 -1.327 -19.859 1.00 0.00 N ATOM 418 CZ ARG A 232 -5.867 -1.620 -21.117 1.00 0.00 C ATOM 419 NH1 ARG A 232 -4.708 -1.071 -21.579 1.00 0.00 N ATOM 420 NH2 ARG A 232 -6.588 -2.464 -21.911 1.00 0.00 N ATOM 0 H ARG A 232 -4.424 2.521 -15.365 1.00 0.00 H new ATOM 0 HA ARG A 232 -4.620 2.024 -18.108 1.00 0.00 H new ATOM 0 HB2 ARG A 232 -4.682 0.240 -16.412 1.00 0.00 H new ATOM 0 HB3 ARG A 232 -6.211 0.841 -15.801 1.00 0.00 H new ATOM 0 HG2 ARG A 232 -6.618 -1.081 -17.249 1.00 0.00 H new ATOM 0 HG3 ARG A 232 -7.288 0.358 -17.993 1.00 0.00 H new ATOM 0 HD2 ARG A 232 -5.323 0.530 -19.504 1.00 0.00 H new ATOM 0 HD3 ARG A 232 -4.572 -0.846 -18.721 1.00 0.00 H new ATOM 0 HE ARG A 232 -7.178 -1.741 -19.518 1.00 0.00 H new ATOM 0 HH11 ARG A 232 -4.170 -0.440 -20.985 1.00 0.00 H new ATOM 0 HH12 ARG A 232 -4.378 -1.291 -22.519 1.00 0.00 H new ATOM 0 HH21 ARG A 232 -7.455 -2.874 -21.564 1.00 0.00 H new ATOM 0 HH22 ARG A 232 -6.259 -2.685 -22.851 1.00 0.00 H new ATOM 434 N LYS A 233 -7.271 3.347 -16.558 1.00 0.00 N ATOM 435 CA LYS A 233 -8.519 4.042 -16.781 1.00 0.00 C ATOM 436 C LYS A 233 -9.517 3.058 -17.423 1.00 0.00 C ATOM 437 O LYS A 233 -9.647 1.919 -16.893 1.00 0.00 O ATOM 438 CB LYS A 233 -8.371 5.284 -17.692 1.00 0.00 C ATOM 439 CG LYS A 233 -9.437 6.349 -17.416 1.00 0.00 C ATOM 440 CD LYS A 233 -9.445 7.454 -18.475 1.00 0.00 C ATOM 441 CE LYS A 233 -10.580 8.457 -18.266 1.00 0.00 C ATOM 442 NZ LYS A 233 -10.623 9.424 -19.384 1.00 0.00 N ATOM 443 OXT LYS A 233 -10.171 3.436 -18.435 1.00 0.00 O ATOM 0 H LYS A 233 -6.994 3.274 -15.579 1.00 0.00 H new ATOM 0 HA LYS A 233 -8.873 4.401 -15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 233 -7.382 5.719 -17.548 1.00 0.00 H new ATOM 0 HB3 LYS A 233 -8.434 4.974 -18.735 1.00 0.00 H new ATOM 0 HG2 LYS A 233 -10.418 5.876 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 233 -9.260 6.791 -16.435 1.00 0.00 H new ATOM 0 HD2 LYS A 233 -8.491 7.980 -18.453 1.00 0.00 H new ATOM 0 HD3 LYS A 233 -9.539 7.005 -19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 233 -11.532 7.930 -18.195 1.00 0.00 H new ATOM 0 HE3 LYS A 233 -10.438 8.986 -17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 -11.399 10.099 -19.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 -9.720 9.938 -19.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 -10.780 8.915 -20.277 1.00 0.00 H new