USER MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=2 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= -0.64 K(o=-0.64,f=-3!) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.0204 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N PHE A 9 -0.157 7.243 -6.551 1.00 0.00 N ATOM 133 CA PHE A 9 -0.640 6.020 -5.936 1.00 0.00 C ATOM 134 C PHE A 9 0.496 5.241 -5.297 1.00 0.00 C ATOM 135 O PHE A 9 0.301 4.517 -4.326 1.00 0.00 O ATOM 136 CB PHE A 9 -1.352 5.161 -6.986 1.00 0.00 C ATOM 137 CG PHE A 9 -0.452 4.696 -8.099 1.00 0.00 C ATOM 138 CD1 PHE A 9 0.562 3.780 -7.860 1.00 0.00 C ATOM 139 CD2 PHE A 9 -0.613 5.188 -9.383 1.00 0.00 C ATOM 140 CE1 PHE A 9 1.393 3.362 -8.882 1.00 0.00 C ATOM 141 CE2 PHE A 9 0.215 4.773 -10.409 1.00 0.00 C ATOM 142 CZ PHE A 9 1.218 3.859 -10.158 1.00 0.00 C ATOM 0 HA PHE A 9 -1.345 6.285 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.788 4.291 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.176 5.733 -7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.704 3.389 -6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.395 5.905 -9.585 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.178 2.648 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.077 5.164 -11.406 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.865 3.533 -10.959 1.00 0.00 H new ATOM 152 N LEU A 10 1.679 5.385 -5.861 1.00 0.00 N ATOM 153 CA LEU A 10 2.851 4.678 -5.357 1.00 0.00 C ATOM 154 C LEU A 10 3.047 4.920 -3.859 1.00 0.00 C ATOM 155 O LEU A 10 3.064 3.980 -3.071 1.00 0.00 O ATOM 156 CB LEU A 10 4.122 5.062 -6.137 1.00 0.00 C ATOM 157 CG LEU A 10 4.591 6.521 -6.029 1.00 0.00 C ATOM 158 CD1 LEU A 10 5.875 6.719 -6.817 1.00 0.00 C ATOM 159 CD2 LEU A 10 3.522 7.485 -6.523 1.00 0.00 C ATOM 0 H LEU A 10 1.859 5.983 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 10 2.672 3.614 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.934 4.419 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.954 4.837 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 10 4.778 6.735 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.197 7.757 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.651 6.065 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.699 6.478 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.886 8.509 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.294 7.271 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.620 7.366 -5.923 1.00 0.00 H new ATOM 171 N ASN A 11 3.190 6.175 -3.465 1.00 0.00 N ATOM 172 CA ASN A 11 3.387 6.503 -2.061 1.00 0.00 C ATOM 173 C ASN A 11 2.144 6.185 -1.236 1.00 0.00 C ATOM 174 O ASN A 11 2.242 5.650 -0.134 1.00 0.00 O ATOM 175 CB ASN A 11 3.751 7.982 -1.909 1.00 0.00 C ATOM 176 CG ASN A 11 3.989 8.376 -0.464 1.00 0.00 C ATOM 177 OD1 ASN A 11 3.101 8.255 0.379 1.00 0.00 O ATOM 178 ND2 ASN A 11 5.194 8.852 -0.170 1.00 0.00 N ATOM 0 H ASN A 11 3.174 6.979 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 11 4.207 5.890 -1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.647 8.194 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.949 8.594 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.412 9.134 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.901 8.936 -0.900 1.00 0.00 H new ATOM 185 N PHE A 12 0.978 6.532 -1.763 1.00 0.00 N ATOM 186 CA PHE A 12 -0.274 6.302 -1.051 1.00 0.00 C ATOM 187 C PHE A 12 -0.635 4.813 -0.997 1.00 0.00 C ATOM 188 O PHE A 12 -0.744 4.225 0.081 1.00 0.00 O ATOM 189 CB PHE A 12 -1.400 7.088 -1.732 1.00 0.00 C ATOM 190 CG PHE A 12 -2.707 7.100 -0.981 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.825 6.512 0.271 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.819 7.723 -1.528 1.00 0.00 C ATOM 193 CE1 PHE A 12 -4.025 6.542 0.956 1.00 0.00 C ATOM 194 CE2 PHE A 12 -5.020 7.756 -0.846 1.00 0.00 C ATOM 195 CZ PHE A 12 -5.123 7.165 0.397 1.00 0.00 C ATOM 0 H PHE A 12 0.871 6.972 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.146 6.646 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.070 8.117 -1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.570 6.667 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.969 6.025 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.745 8.188 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.104 6.078 1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.878 8.244 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.061 7.190 0.932 1.00 0.00 H new ATOM 205 N THR A 13 -0.846 4.222 -2.167 1.00 0.00 N ATOM 206 CA THR A 13 -1.233 2.814 -2.271 1.00 0.00 C ATOM 207 C THR A 13 -0.201 1.856 -1.669 1.00 0.00 C ATOM 208 O THR A 13 -0.539 0.720 -1.347 1.00 0.00 O ATOM 209 CB THR A 13 -1.481 2.441 -3.736 1.00 0.00 C ATOM 210 OG1 THR A 13 -2.490 3.262 -4.297 1.00 0.00 O ATOM 211 CG2 THR A 13 -1.911 1.002 -3.925 1.00 0.00 C ATOM 0 H THR A 13 -0.756 4.697 -3.065 1.00 0.00 H new ATOM 0 HA THR A 13 -2.149 2.705 -1.690 1.00 0.00 H new ATOM 0 HB THR A 13 -0.523 2.587 -4.236 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.858 2.828 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.069 0.806 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.135 0.337 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.839 0.825 -3.381 1.00 0.00 H new ATOM 219 N ILE A 14 1.043 2.299 -1.506 1.00 0.00 N ATOM 220 CA ILE A 14 2.077 1.438 -0.935 1.00 0.00 C ATOM 221 C ILE A 14 2.047 1.495 0.575 1.00 0.00 C ATOM 222 O ILE A 14 2.153 0.475 1.256 1.00 0.00 O ATOM 223 CB ILE A 14 3.481 1.773 -1.460 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.581 1.432 -2.950 1.00 0.00 C ATOM 225 CG2 ILE A 14 4.552 1.029 -0.671 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.919 1.782 -3.564 1.00 0.00 C ATOM 0 H ILE A 14 1.358 3.236 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 14 1.852 0.421 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 14 3.649 2.842 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.398 0.366 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.794 1.960 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.536 1.284 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.495 1.315 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.392 -0.045 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.916 1.512 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.097 2.853 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.709 1.233 -3.052 1.00 0.00 H new ATOM 238 N VAL A 15 1.861 2.688 1.086 1.00 0.00 N ATOM 239 CA VAL A 15 1.764 2.885 2.520 1.00 0.00 C ATOM 240 C VAL A 15 0.519 2.186 3.044 1.00 0.00 C ATOM 241 O VAL A 15 0.409 1.879 4.232 1.00 0.00 O ATOM 242 CB VAL A 15 1.666 4.372 2.870 1.00 0.00 C ATOM 243 CG1 VAL A 15 1.517 4.567 4.374 1.00 0.00 C ATOM 244 CG2 VAL A 15 2.877 5.128 2.349 1.00 0.00 C ATOM 0 H VAL A 15 1.773 3.541 0.533 1.00 0.00 H new ATOM 0 HA VAL A 15 2.663 2.471 2.977 1.00 0.00 H new ATOM 0 HB VAL A 15 0.777 4.775 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.449 5.632 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.612 4.066 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.383 4.143 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.787 6.183 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.782 4.720 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.932 5.025 1.265 1.00 0.00 H new ATOM 254 N LEU A 16 -0.420 1.947 2.140 1.00 0.00 N ATOM 255 CA LEU A 16 -1.666 1.287 2.501 1.00 0.00 C ATOM 256 C LEU A 16 -1.558 -0.228 2.378 1.00 0.00 C ATOM 257 O LEU A 16 -2.137 -0.963 3.180 1.00 0.00 O ATOM 258 CB LEU A 16 -2.831 1.790 1.647 1.00 0.00 C ATOM 259 CG LEU A 16 -3.180 3.267 1.820 1.00 0.00 C ATOM 260 CD1 LEU A 16 -4.359 3.636 0.932 1.00 0.00 C ATOM 261 CD2 LEU A 16 -3.490 3.572 3.278 1.00 0.00 C ATOM 0 H LEU A 16 -0.343 2.199 1.155 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.860 1.536 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.595 1.610 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.714 1.196 1.881 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.321 3.867 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.598 4.691 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.101 3.450 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.224 3.031 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.737 4.628 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.336 2.967 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.620 3.339 3.891 1.00 0.00 H new ATOM 273 N ILE A 17 -0.798 -0.705 1.400 1.00 0.00 N ATOM 274 CA ILE A 17 -0.618 -2.117 1.238 1.00 0.00 C ATOM 275 C ILE A 17 0.471 -2.582 2.195 1.00 0.00 C ATOM 276 O ILE A 17 0.548 -3.758 2.549 1.00 0.00 O ATOM 277 CB ILE A 17 -0.322 -2.482 -0.247 1.00 0.00 C ATOM 278 CG1 ILE A 17 0.084 -3.944 -0.399 1.00 0.00 C ATOM 279 CG2 ILE A 17 0.763 -1.583 -0.826 1.00 0.00 C ATOM 280 CD1 ILE A 17 1.453 -4.209 0.161 1.00 0.00 C ATOM 0 H ILE A 17 -0.305 -0.128 0.718 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.539 -2.644 1.488 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.247 -2.325 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.644 -4.577 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.064 -4.218 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.950 -1.860 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.437 -0.544 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.680 -1.701 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.701 -5.262 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.186 -3.596 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.466 -3.961 1.222 1.00 0.00 H new ATOM 292 N THR A 18 1.286 -1.629 2.650 1.00 0.00 N ATOM 293 CA THR A 18 2.352 -1.933 3.600 1.00 0.00 C ATOM 294 C THR A 18 1.783 -1.989 5.015 1.00 0.00 C ATOM 295 O THR A 18 2.123 -2.874 5.801 1.00 0.00 O ATOM 296 CB THR A 18 3.469 -0.882 3.541 1.00 0.00 C ATOM 297 OG1 THR A 18 4.604 -1.320 4.265 1.00 0.00 O ATOM 298 CG2 THR A 18 3.068 0.446 4.132 1.00 0.00 C ATOM 0 H THR A 18 1.228 -0.648 2.377 1.00 0.00 H new ATOM 0 HA THR A 18 2.776 -2.900 3.331 1.00 0.00 H new ATOM 0 HB THR A 18 3.685 -0.754 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.307 -0.639 4.215 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.902 1.144 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.213 0.844 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.798 0.312 5.180 1.00 0.00 H new ATOM 306 N VAL A 19 0.913 -1.029 5.331 1.00 0.00 N ATOM 307 CA VAL A 19 0.296 -0.960 6.649 1.00 0.00 C ATOM 308 C VAL A 19 -0.511 -2.216 6.911 1.00 0.00 C ATOM 309 O VAL A 19 -0.410 -2.843 7.966 1.00 0.00 O ATOM 310 CB VAL A 19 -0.631 0.272 6.769 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.901 0.128 5.944 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.950 0.573 8.225 1.00 0.00 C ATOM 0 H VAL A 19 0.622 -0.291 4.690 1.00 0.00 H new ATOM 0 HA VAL A 19 1.094 -0.871 7.386 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.086 1.121 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.516 1.020 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.640 0.006 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.458 -0.745 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.603 1.444 8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.450 -0.286 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.026 0.777 8.765 1.00 0.00 H new ATOM 322 N ILE A 20 -1.318 -2.560 5.927 1.00 0.00 N ATOM 323 CA ILE A 20 -2.177 -3.734 6.005 1.00 0.00 C ATOM 324 C ILE A 20 -1.361 -5.022 6.154 1.00 0.00 C ATOM 325 O ILE A 20 -1.494 -5.731 7.152 1.00 0.00 O ATOM 326 CB ILE A 20 -3.127 -3.807 4.778 1.00 0.00 C ATOM 327 CG1 ILE A 20 -4.028 -5.051 4.816 1.00 0.00 C ATOM 328 CG2 ILE A 20 -2.337 -3.768 3.480 1.00 0.00 C ATOM 329 CD1 ILE A 20 -3.302 -6.360 4.584 1.00 0.00 C ATOM 0 H ILE A 20 -1.400 -2.039 5.054 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.790 -3.636 6.901 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.774 -2.931 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.527 -5.093 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.807 -4.943 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.023 -3.820 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.768 -2.840 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.653 -4.616 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.014 -7.184 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.826 -6.343 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.542 -6.496 5.354 1.00 0.00 H new ATOM 341 N LEU A 21 -0.515 -5.333 5.175 1.00 0.00 N ATOM 342 CA LEU A 21 0.292 -6.551 5.242 1.00 0.00 C ATOM 343 C LEU A 21 1.073 -6.619 6.548 1.00 0.00 C ATOM 344 O LEU A 21 1.481 -7.689 6.987 1.00 0.00 O ATOM 345 CB LEU A 21 1.253 -6.626 4.062 1.00 0.00 C ATOM 346 CG LEU A 21 2.320 -5.563 4.099 1.00 0.00 C ATOM 347 CD1 LEU A 21 3.383 -5.878 5.145 1.00 0.00 C ATOM 348 CD2 LEU A 21 2.941 -5.348 2.726 1.00 0.00 C ATOM 0 H LEU A 21 -0.370 -4.769 4.337 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.389 -7.401 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.727 -7.607 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.688 -6.533 3.135 1.00 0.00 H new ATOM 0 HG LEU A 21 1.839 -4.629 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.137 -5.091 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.919 -5.936 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.854 -6.832 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.706 -4.575 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.393 -6.278 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.169 -5.037 2.022 1.00 0.00 H new ATOM 360 N MET A 22 1.300 -5.473 7.160 1.00 0.00 N ATOM 361 CA MET A 22 2.049 -5.437 8.399 1.00 0.00 C ATOM 362 C MET A 22 1.262 -6.064 9.545 1.00 0.00 C ATOM 363 O MET A 22 1.668 -7.085 10.111 1.00 0.00 O ATOM 364 CB MET A 22 2.425 -3.997 8.756 1.00 0.00 C ATOM 365 CG MET A 22 3.231 -3.881 10.040 1.00 0.00 C ATOM 366 SD MET A 22 3.660 -2.176 10.441 1.00 0.00 S ATOM 367 CE MET A 22 4.570 -2.407 11.966 1.00 0.00 C ATOM 0 H MET A 22 0.980 -4.565 6.824 1.00 0.00 H new ATOM 0 HA MET A 22 2.958 -6.020 8.250 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.999 -3.566 7.936 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.515 -3.406 8.853 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.660 -4.311 10.863 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.144 -4.468 9.945 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.904 -1.439 12.341 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.925 -2.880 12.706 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.436 -3.042 11.780 1.00 0.00 H new ATOM 377 N TRP A 23 0.143 -5.428 9.879 1.00 0.00 N ATOM 378 CA TRP A 23 -0.713 -5.857 10.967 1.00 0.00 C ATOM 379 C TRP A 23 -1.170 -7.285 10.812 1.00 0.00 C ATOM 380 O TRP A 23 -1.536 -7.925 11.799 1.00 0.00 O ATOM 381 CB TRP A 23 -1.919 -4.924 11.094 1.00 0.00 C ATOM 382 CG TRP A 23 -2.813 -5.256 12.251 1.00 0.00 C ATOM 383 CD1 TRP A 23 -2.465 -5.292 13.571 1.00 0.00 C ATOM 384 CD2 TRP A 23 -4.203 -5.591 12.193 1.00 0.00 C ATOM 385 NE1 TRP A 23 -3.554 -5.634 14.336 1.00 0.00 N ATOM 386 CE2 TRP A 23 -4.633 -5.821 13.513 1.00 0.00 C ATOM 387 CE3 TRP A 23 -5.125 -5.718 11.152 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -5.946 -6.173 13.818 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -6.428 -6.066 11.455 1.00 0.00 C ATOM 390 CH2 TRP A 23 -6.828 -6.290 12.778 1.00 0.00 C ATOM 0 H TRP A 23 -0.193 -4.595 9.395 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.120 -5.808 11.880 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.565 -3.899 11.201 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.500 -4.966 10.173 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.478 -5.082 13.957 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.558 -5.733 15.351 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.825 -5.547 10.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.256 -6.347 14.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.150 -6.167 10.658 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.853 -6.561 12.982 1.00 0.00 H new ATOM 401 N LEU A 24 -1.151 -7.804 9.594 1.00 0.00 N ATOM 402 CA LEU A 24 -1.577 -9.180 9.414 1.00 0.00 C ATOM 403 C LEU A 24 -0.676 -10.031 8.516 1.00 0.00 C ATOM 404 O LEU A 24 -0.567 -11.235 8.753 1.00 0.00 O ATOM 405 CB LEU A 24 -3.055 -9.303 8.996 1.00 0.00 C ATOM 406 CG LEU A 24 -3.518 -8.494 7.783 1.00 0.00 C ATOM 407 CD1 LEU A 24 -3.564 -7.007 8.103 1.00 0.00 C ATOM 408 CD2 LEU A 24 -2.620 -8.765 6.590 1.00 0.00 C ATOM 0 H LEU A 24 -0.858 -7.316 8.748 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.472 -9.604 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.261 -10.355 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.670 -9.013 9.848 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.530 -8.810 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.896 -6.456 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.259 -6.833 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.570 -6.666 8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.964 -8.181 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.596 -8.483 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.655 -9.826 6.342 1.00 0.00 H new