USER MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 152 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 11 ASN : amide:sc= 0.0357 K(o=0.036,f=-3.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 51:sc= -7.77! USER MOD Single : A 22 MET CE :methyl -130:sc= -6.47! (180deg=-11.7!) USER MOD ----------------------------------------------------------------- ATOM 132 N PHE A 9 0.551 9.058 -5.037 1.00 0.00 N ATOM 133 CA PHE A 9 -0.248 7.889 -5.397 1.00 0.00 C ATOM 134 C PHE A 9 0.546 6.599 -5.219 1.00 0.00 C ATOM 135 O PHE A 9 -0.018 5.526 -4.997 1.00 0.00 O ATOM 136 CB PHE A 9 -0.725 8.017 -6.849 1.00 0.00 C ATOM 137 CG PHE A 9 -1.707 6.959 -7.290 1.00 0.00 C ATOM 138 CD1 PHE A 9 -2.250 6.056 -6.386 1.00 0.00 C ATOM 139 CD2 PHE A 9 -2.101 6.885 -8.618 1.00 0.00 C ATOM 140 CE1 PHE A 9 -3.159 5.101 -6.800 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.009 5.931 -9.035 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.537 5.036 -8.126 1.00 0.00 C ATOM 0 HA PHE A 9 -1.110 7.846 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.185 8.996 -6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.144 7.982 -7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.959 6.100 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.693 7.582 -9.335 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.574 4.405 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.306 5.885 -10.072 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.244 4.287 -8.451 1.00 0.00 H new ATOM 152 N LEU A 10 1.857 6.709 -5.316 1.00 0.00 N ATOM 153 CA LEU A 10 2.736 5.568 -5.176 1.00 0.00 C ATOM 154 C LEU A 10 2.887 5.176 -3.710 1.00 0.00 C ATOM 155 O LEU A 10 2.572 4.049 -3.325 1.00 0.00 O ATOM 156 CB LEU A 10 4.086 5.913 -5.810 1.00 0.00 C ATOM 157 CG LEU A 10 5.165 4.839 -5.733 1.00 0.00 C ATOM 158 CD1 LEU A 10 6.384 5.283 -6.522 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.541 4.580 -4.286 1.00 0.00 C ATOM 0 H LEU A 10 2.340 7.590 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 10 2.310 4.706 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.919 6.155 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.467 6.815 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 10 4.781 3.914 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.154 4.514 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.105 5.442 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.769 6.213 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.312 3.811 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.919 5.499 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.662 4.243 -3.736 1.00 0.00 H new ATOM 171 N ASN A 11 3.366 6.110 -2.895 1.00 0.00 N ATOM 172 CA ASN A 11 3.554 5.857 -1.471 1.00 0.00 C ATOM 173 C ASN A 11 2.229 5.510 -0.802 1.00 0.00 C ATOM 174 O ASN A 11 2.202 4.906 0.268 1.00 0.00 O ATOM 175 CB ASN A 11 4.175 7.076 -0.790 1.00 0.00 C ATOM 176 CG ASN A 11 3.291 8.300 -0.895 1.00 0.00 C ATOM 177 OD1 ASN A 11 2.953 8.739 -1.991 1.00 0.00 O ATOM 178 ND2 ASN A 11 2.913 8.858 0.249 1.00 0.00 N ATOM 0 H ASN A 11 3.631 7.048 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 11 4.230 5.008 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.357 6.850 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.143 7.289 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.317 9.686 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.218 8.459 1.137 1.00 0.00 H new ATOM 185 N PHE A 12 1.128 5.897 -1.437 1.00 0.00 N ATOM 186 CA PHE A 12 -0.195 5.624 -0.900 1.00 0.00 C ATOM 187 C PHE A 12 -0.574 4.161 -1.102 1.00 0.00 C ATOM 188 O PHE A 12 -0.656 3.387 -0.151 1.00 0.00 O ATOM 189 CB PHE A 12 -1.228 6.530 -1.579 1.00 0.00 C ATOM 190 CG PHE A 12 -2.635 6.327 -1.088 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.963 6.561 0.238 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.628 5.900 -1.955 1.00 0.00 C ATOM 193 CE1 PHE A 12 -4.257 6.375 0.689 1.00 0.00 C ATOM 194 CE2 PHE A 12 -4.922 5.712 -1.510 1.00 0.00 C ATOM 195 CZ PHE A 12 -5.237 5.949 -0.187 1.00 0.00 C ATOM 0 H PHE A 12 1.128 6.401 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.181 5.829 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.945 7.570 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.200 6.354 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.200 6.892 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.387 5.712 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.501 6.562 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.687 5.380 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.248 5.802 0.163 1.00 0.00 H new ATOM 205 N THR A 13 -0.810 3.791 -2.349 1.00 0.00 N ATOM 206 CA THR A 13 -1.198 2.424 -2.683 1.00 0.00 C ATOM 207 C THR A 13 -0.256 1.380 -2.079 1.00 0.00 C ATOM 208 O THR A 13 -0.654 0.234 -1.871 1.00 0.00 O ATOM 209 CB THR A 13 -1.249 2.252 -4.203 1.00 0.00 C ATOM 210 OG1 THR A 13 -1.627 0.930 -4.545 1.00 0.00 O ATOM 211 CG2 THR A 13 0.071 2.543 -4.882 1.00 0.00 C ATOM 0 H THR A 13 -0.741 4.417 -3.151 1.00 0.00 H new ATOM 0 HA THR A 13 -2.186 2.259 -2.253 1.00 0.00 H new ATOM 0 HB THR A 13 -1.985 2.976 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.656 0.840 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.034 2.402 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.366 3.572 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.834 1.864 -4.500 1.00 0.00 H new ATOM 219 N ILE A 14 0.987 1.770 -1.802 1.00 0.00 N ATOM 220 CA ILE A 14 1.968 0.843 -1.238 1.00 0.00 C ATOM 221 C ILE A 14 1.907 0.816 0.273 1.00 0.00 C ATOM 222 O ILE A 14 1.502 -0.171 0.884 1.00 0.00 O ATOM 223 CB ILE A 14 3.408 1.175 -1.704 1.00 0.00 C ATOM 224 CG1 ILE A 14 4.409 0.179 -1.117 1.00 0.00 C ATOM 225 CG2 ILE A 14 3.813 2.602 -1.364 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.135 -1.256 -1.510 1.00 0.00 C ATOM 0 H ILE A 14 1.338 2.715 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 14 1.707 -0.147 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 14 3.418 1.089 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.413 0.451 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.394 0.259 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.830 2.784 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.132 3.300 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.767 2.746 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.884 -1.906 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.144 -1.546 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.179 -1.351 -2.595 1.00 0.00 H new ATOM 238 N VAL A 15 2.298 1.914 0.860 1.00 0.00 N ATOM 239 CA VAL A 15 2.287 2.060 2.311 1.00 0.00 C ATOM 240 C VAL A 15 0.944 1.613 2.879 1.00 0.00 C ATOM 241 O VAL A 15 0.864 1.161 4.015 1.00 0.00 O ATOM 242 CB VAL A 15 2.543 3.516 2.729 1.00 0.00 C ATOM 243 CG1 VAL A 15 2.500 3.660 4.244 1.00 0.00 C ATOM 244 CG2 VAL A 15 3.875 4.007 2.181 1.00 0.00 C ATOM 0 H VAL A 15 2.634 2.736 0.359 1.00 0.00 H new ATOM 0 HA VAL A 15 3.086 1.433 2.707 1.00 0.00 H new ATOM 0 HB VAL A 15 1.751 4.134 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.684 4.699 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.519 3.357 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.266 3.027 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.036 5.040 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.680 3.383 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.864 3.950 1.093 1.00 0.00 H new ATOM 254 N LEU A 16 -0.101 1.722 2.070 1.00 0.00 N ATOM 255 CA LEU A 16 -1.429 1.303 2.494 1.00 0.00 C ATOM 256 C LEU A 16 -1.571 -0.211 2.400 1.00 0.00 C ATOM 257 O LEU A 16 -1.829 -0.880 3.410 1.00 0.00 O ATOM 258 CB LEU A 16 -2.527 2.016 1.699 1.00 0.00 C ATOM 259 CG LEU A 16 -2.839 3.451 2.151 1.00 0.00 C ATOM 260 CD1 LEU A 16 -3.391 3.444 3.568 1.00 0.00 C ATOM 261 CD2 LEU A 16 -1.606 4.342 2.083 1.00 0.00 C ATOM 0 H LEU A 16 -0.055 2.095 1.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.551 1.591 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.236 2.039 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.441 1.426 1.764 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.586 3.857 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.609 4.466 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.306 2.852 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.654 3.009 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.866 5.349 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.829 3.939 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.239 4.377 1.057 1.00 0.00 H new ATOM 273 N ILE A 17 -1.366 -0.773 1.205 1.00 0.00 N ATOM 274 CA ILE A 17 -1.440 -2.199 1.043 1.00 0.00 C ATOM 275 C ILE A 17 -0.414 -2.870 1.947 1.00 0.00 C ATOM 276 O ILE A 17 -0.548 -4.032 2.323 1.00 0.00 O ATOM 277 CB ILE A 17 -1.178 -2.569 -0.415 1.00 0.00 C ATOM 278 CG1 ILE A 17 0.224 -2.116 -0.823 1.00 0.00 C ATOM 279 CG2 ILE A 17 -2.238 -1.950 -1.316 1.00 0.00 C ATOM 280 CD1 ILE A 17 0.526 -2.325 -2.285 1.00 0.00 C ATOM 0 H ILE A 17 -1.151 -0.255 0.353 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.437 -2.543 1.319 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.235 -3.652 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.338 -1.058 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.959 -2.658 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.039 -2.222 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.222 -2.319 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.213 -0.865 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.537 -1.981 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.445 -3.385 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.186 -1.761 -2.888 1.00 0.00 H new ATOM 292 N THR A 18 0.602 -2.101 2.309 1.00 0.00 N ATOM 293 CA THR A 18 1.649 -2.569 3.180 1.00 0.00 C ATOM 294 C THR A 18 1.178 -2.558 4.630 1.00 0.00 C ATOM 295 O THR A 18 1.537 -3.437 5.408 1.00 0.00 O ATOM 296 CB THR A 18 2.868 -1.674 2.995 1.00 0.00 C ATOM 297 OG1 THR A 18 2.513 -0.330 3.154 1.00 0.00 O ATOM 298 CG2 THR A 18 3.539 -1.833 1.649 1.00 0.00 C ATOM 0 H THR A 18 0.716 -1.135 2.002 1.00 0.00 H new ATOM 0 HA THR A 18 1.913 -3.596 2.929 1.00 0.00 H new ATOM 0 HB THR A 18 3.580 -1.987 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.019 -0.219 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.398 -1.165 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.872 -2.864 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.831 -1.585 0.858 1.00 0.00 H new ATOM 306 N VAL A 19 0.349 -1.572 4.985 1.00 0.00 N ATOM 307 CA VAL A 19 -0.182 -1.487 6.342 1.00 0.00 C ATOM 308 C VAL A 19 -0.912 -2.773 6.697 1.00 0.00 C ATOM 309 O VAL A 19 -0.647 -3.384 7.733 1.00 0.00 O ATOM 310 CB VAL A 19 -1.148 -0.293 6.527 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.754 -0.303 7.925 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.433 1.025 6.277 1.00 0.00 C ATOM 0 H VAL A 19 0.036 -0.831 4.358 1.00 0.00 H new ATOM 0 HA VAL A 19 0.670 -1.335 7.005 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.951 -0.395 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.430 0.545 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.307 -1.230 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.959 -0.231 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.132 1.850 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.393 1.130 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.046 1.042 5.258 1.00 0.00 H new ATOM 322 N ILE A 20 -1.827 -3.190 5.825 1.00 0.00 N ATOM 323 CA ILE A 20 -2.576 -4.418 6.062 1.00 0.00 C ATOM 324 C ILE A 20 -1.614 -5.606 6.136 1.00 0.00 C ATOM 325 O ILE A 20 -1.678 -6.404 7.072 1.00 0.00 O ATOM 326 CB ILE A 20 -3.669 -4.642 4.985 1.00 0.00 C ATOM 327 CG1 ILE A 20 -4.471 -5.925 5.249 1.00 0.00 C ATOM 328 CG2 ILE A 20 -3.059 -4.673 3.596 1.00 0.00 C ATOM 329 CD1 ILE A 20 -3.668 -7.202 5.118 1.00 0.00 C ATOM 0 H ILE A 20 -2.064 -2.703 4.961 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.093 -4.325 7.017 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.360 -3.801 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.892 -5.876 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.310 -5.964 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.845 -4.831 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.559 -3.725 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.334 -5.485 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.311 -8.059 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.269 -7.279 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.845 -7.189 5.832 1.00 0.00 H new ATOM 341 N LEU A 21 -0.690 -5.697 5.178 1.00 0.00 N ATOM 342 CA LEU A 21 0.301 -6.773 5.188 1.00 0.00 C ATOM 343 C LEU A 21 1.195 -6.664 6.421 1.00 0.00 C ATOM 344 O LEU A 21 1.723 -7.656 6.916 1.00 0.00 O ATOM 345 CB LEU A 21 1.170 -6.757 3.920 1.00 0.00 C ATOM 346 CG LEU A 21 0.544 -7.362 2.654 1.00 0.00 C ATOM 347 CD1 LEU A 21 -0.736 -6.651 2.250 1.00 0.00 C ATOM 348 CD2 LEU A 21 1.547 -7.339 1.511 1.00 0.00 C ATOM 0 H LEU A 21 -0.607 -5.048 4.396 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.245 -7.716 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.442 -5.724 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.095 -7.293 4.133 1.00 0.00 H new ATOM 0 HG LEU A 21 0.280 -8.395 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.141 -7.114 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.465 -6.727 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.522 -5.601 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.092 -7.770 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.842 -6.310 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.427 -7.921 1.787 1.00 0.00 H new ATOM 360 N MET A 22 1.362 -5.448 6.911 1.00 0.00 N ATOM 361 CA MET A 22 2.192 -5.207 8.079 1.00 0.00 C ATOM 362 C MET A 22 1.494 -5.754 9.321 1.00 0.00 C ATOM 363 O MET A 22 1.908 -6.767 9.886 1.00 0.00 O ATOM 364 CB MET A 22 2.440 -3.691 8.203 1.00 0.00 C ATOM 365 CG MET A 22 3.520 -3.235 9.193 1.00 0.00 C ATOM 366 SD MET A 22 3.245 -3.712 10.913 1.00 0.00 S ATOM 367 CE MET A 22 3.848 -5.395 10.917 1.00 0.00 C ATOM 0 H MET A 22 0.933 -4.610 6.517 1.00 0.00 H new ATOM 0 HA MET A 22 3.151 -5.715 7.979 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.704 -3.310 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.500 -3.217 8.487 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.479 -3.640 8.870 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.600 -2.149 9.143 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.103 -6.047 11.373 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.034 -5.717 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.775 -5.448 11.488 1.00 0.00 H new ATOM 377 N TRP A 23 0.417 -5.090 9.719 1.00 0.00 N ATOM 378 CA TRP A 23 -0.352 -5.486 10.879 1.00 0.00 C ATOM 379 C TRP A 23 -0.946 -6.870 10.716 1.00 0.00 C ATOM 380 O TRP A 23 -1.570 -7.384 11.642 1.00 0.00 O ATOM 381 CB TRP A 23 -1.460 -4.466 11.147 1.00 0.00 C ATOM 382 CG TRP A 23 -2.307 -4.801 12.338 1.00 0.00 C ATOM 383 CD1 TRP A 23 -1.888 -4.953 13.628 1.00 0.00 C ATOM 384 CD2 TRP A 23 -3.719 -5.024 12.346 1.00 0.00 C ATOM 385 NE1 TRP A 23 -2.956 -5.258 14.438 1.00 0.00 N ATOM 386 CE2 TRP A 23 -4.091 -5.307 13.672 1.00 0.00 C ATOM 387 CE3 TRP A 23 -4.705 -5.011 11.357 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -5.409 -5.575 14.034 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -6.013 -5.277 11.716 1.00 0.00 C ATOM 390 CH2 TRP A 23 -6.355 -5.555 13.046 1.00 0.00 C ATOM 0 H TRP A 23 0.056 -4.263 9.243 1.00 0.00 H new ATOM 0 HA TRP A 23 0.327 -5.517 11.731 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.011 -3.484 11.295 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.098 -4.395 10.266 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.867 -4.849 13.963 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.911 -5.421 15.444 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.450 -4.797 10.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.675 -5.791 15.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.784 -5.270 10.959 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.386 -5.758 13.296 1.00 0.00 H new ATOM 401 N LEU A 24 -0.766 -7.486 9.550 1.00 0.00 N ATOM 402 CA LEU A 24 -1.314 -8.810 9.352 1.00 0.00 C ATOM 403 C LEU A 24 -0.315 -9.766 8.706 1.00 0.00 C ATOM 404 O LEU A 24 0.037 -10.788 9.296 1.00 0.00 O ATOM 405 CB LEU A 24 -2.610 -8.740 8.534 1.00 0.00 C ATOM 406 CG LEU A 24 -3.365 -10.064 8.355 1.00 0.00 C ATOM 407 CD1 LEU A 24 -4.671 -9.828 7.611 1.00 0.00 C ATOM 408 CD2 LEU A 24 -2.518 -11.084 7.608 1.00 0.00 C ATOM 0 H LEU A 24 -0.260 -7.098 8.754 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.541 -9.213 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.279 -8.025 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.372 -8.344 7.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.583 -10.463 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.197 -10.775 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.294 -9.137 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.459 -9.403 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.080 -12.012 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.263 -10.694 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.604 -11.279 8.169 1.00 0.00 H new