USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 114 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 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00653 K(o=-0.0065,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.146 (180deg=-0.879) USER MOD ----------------------------------------------------------------- ATOM 134 N ALA A 11 -4.986 -7.098 -4.405 1.00 0.00 N ATOM 135 CA ALA A 11 -3.737 -7.833 -4.292 1.00 0.00 C ATOM 136 C ALA A 11 -2.577 -6.929 -4.714 1.00 0.00 C ATOM 137 O ALA A 11 -1.800 -6.477 -3.874 1.00 0.00 O ATOM 138 CB ALA A 11 -3.817 -9.108 -5.131 1.00 0.00 C ATOM 0 HA ALA A 11 -3.561 -8.133 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.880 -9.659 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.637 -9.729 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.991 -8.846 -6.175 1.00 0.00 H new ATOM 144 N THR A 12 -2.498 -6.689 -6.014 1.00 0.00 N ATOM 145 CA THR A 12 -1.447 -5.848 -6.558 1.00 0.00 C ATOM 146 C THR A 12 -1.195 -4.650 -5.641 1.00 0.00 C ATOM 147 O THR A 12 -0.051 -4.352 -5.302 1.00 0.00 O ATOM 148 CB THR A 12 -1.846 -5.450 -7.981 1.00 0.00 C ATOM 149 OG1 THR A 12 -3.068 -4.735 -7.811 1.00 0.00 O ATOM 150 CG2 THR A 12 -2.236 -6.656 -8.838 1.00 0.00 C ATOM 0 H THR A 12 -3.146 -7.063 -6.707 1.00 0.00 H new ATOM 0 HA THR A 12 -0.499 -6.384 -6.609 1.00 0.00 H new ATOM 0 HB THR A 12 -1.020 -4.920 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.397 -4.438 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.510 -6.319 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.392 -7.342 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.084 -7.167 -8.382 1.00 0.00 H new ATOM 158 N ALA A 13 -2.283 -3.994 -5.263 1.00 0.00 N ATOM 159 CA ALA A 13 -2.195 -2.835 -4.392 1.00 0.00 C ATOM 160 C ALA A 13 -1.138 -3.092 -3.315 1.00 0.00 C ATOM 161 O ALA A 13 -0.290 -2.240 -3.059 1.00 0.00 O ATOM 162 CB ALA A 13 -3.573 -2.538 -3.797 1.00 0.00 C ATOM 0 H ALA A 13 -3.231 -4.244 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.886 -1.954 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.507 -1.668 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.280 -2.335 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.914 -3.399 -3.222 1.00 0.00 H new ATOM 168 N ILE A 14 -1.225 -4.269 -2.714 1.00 0.00 N ATOM 169 CA ILE A 14 -0.287 -4.648 -1.671 1.00 0.00 C ATOM 170 C ILE A 14 1.135 -4.302 -2.121 1.00 0.00 C ATOM 171 O ILE A 14 1.860 -3.605 -1.414 1.00 0.00 O ATOM 172 CB ILE A 14 -0.471 -6.120 -1.294 1.00 0.00 C ATOM 173 CG1 ILE A 14 -1.882 -6.376 -0.762 1.00 0.00 C ATOM 174 CG2 ILE A 14 0.606 -6.570 -0.304 1.00 0.00 C ATOM 175 CD1 ILE A 14 -2.303 -7.827 -1.003 1.00 0.00 C ATOM 0 H ILE A 14 -1.931 -4.973 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.481 -4.083 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.352 -6.722 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.918 -6.155 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.587 -5.703 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.453 -7.619 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.590 -6.445 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.543 -5.967 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.310 -7.983 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.289 -8.037 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.610 -8.496 -0.493 1.00 0.00 H new ATOM 186 N LYS A 15 1.491 -4.805 -3.294 1.00 0.00 N ATOM 187 CA LYS A 15 2.811 -4.559 -3.845 1.00 0.00 C ATOM 188 C LYS A 15 3.165 -3.080 -3.669 1.00 0.00 C ATOM 189 O LYS A 15 4.284 -2.746 -3.285 1.00 0.00 O ATOM 190 CB LYS A 15 2.886 -5.041 -5.295 1.00 0.00 C ATOM 191 CG LYS A 15 4.208 -4.624 -5.944 1.00 0.00 C ATOM 192 CD LYS A 15 4.213 -3.128 -6.263 1.00 0.00 C ATOM 193 CE LYS A 15 4.951 -2.850 -7.575 1.00 0.00 C ATOM 194 NZ LYS A 15 4.071 -3.125 -8.732 1.00 0.00 N ATOM 0 H LYS A 15 0.886 -5.383 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 15 3.562 -5.134 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.788 -6.126 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.052 -4.628 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.036 -4.860 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.364 -5.195 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.188 -2.764 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.690 -2.581 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.281 -1.812 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.845 -3.471 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.587 -2.931 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.776 -4.122 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.230 -2.515 -8.682 1.00 0.00 H new ATOM 204 N GLN A 16 2.187 -2.233 -3.960 1.00 0.00 N ATOM 205 CA GLN A 16 2.380 -0.798 -3.839 1.00 0.00 C ATOM 206 C GLN A 16 2.828 -0.440 -2.420 1.00 0.00 C ATOM 207 O GLN A 16 3.716 0.391 -2.237 1.00 0.00 O ATOM 208 CB GLN A 16 1.107 -0.040 -4.220 1.00 0.00 C ATOM 209 CG GLN A 16 0.586 -0.494 -5.585 1.00 0.00 C ATOM 210 CD GLN A 16 -0.457 0.486 -6.127 1.00 0.00 C ATOM 211 OE1 GLN A 16 -0.431 1.674 -5.855 1.00 0.00 O ATOM 212 NE2 GLN A 16 -1.374 -0.079 -6.908 1.00 0.00 N ATOM 0 H GLN A 16 1.260 -2.513 -4.279 1.00 0.00 H new ATOM 0 HA GLN A 16 3.165 -0.497 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.341 -0.204 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.310 1.031 -4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.416 -0.573 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.146 -1.488 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.337 -1.081 -7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.114 0.490 -7.320 1.00 0.00 H new ATOM 219 N VAL A 17 2.192 -1.085 -1.453 1.00 0.00 N ATOM 220 CA VAL A 17 2.513 -0.845 -0.056 1.00 0.00 C ATOM 221 C VAL A 17 4.015 -1.046 0.159 1.00 0.00 C ATOM 222 O VAL A 17 4.625 -0.360 0.976 1.00 0.00 O ATOM 223 CB VAL A 17 1.656 -1.742 0.839 1.00 0.00 C ATOM 224 CG1 VAL A 17 2.267 -3.139 0.962 1.00 0.00 C ATOM 225 CG2 VAL A 17 1.455 -1.107 2.218 1.00 0.00 C ATOM 0 H VAL A 17 1.456 -1.774 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 17 2.280 0.184 0.219 1.00 0.00 H new ATOM 0 HB VAL A 17 0.677 -1.846 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.638 -3.756 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.335 -3.595 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.264 -3.063 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.843 -1.764 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.424 -0.960 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.955 -0.145 2.106 1.00 0.00 H new ATOM 235 N LYS A 18 4.566 -1.990 -0.590 1.00 0.00 N ATOM 236 CA LYS A 18 5.985 -2.289 -0.492 1.00 0.00 C ATOM 237 C LYS A 18 6.792 -1.073 -0.949 1.00 0.00 C ATOM 238 O LYS A 18 7.842 -0.772 -0.384 1.00 0.00 O ATOM 239 CB LYS A 18 6.316 -3.571 -1.259 1.00 0.00 C ATOM 240 CG LYS A 18 7.596 -3.403 -2.080 1.00 0.00 C ATOM 241 CD LYS A 18 7.297 -2.774 -3.442 1.00 0.00 C ATOM 242 CE LYS A 18 7.118 -3.849 -4.515 1.00 0.00 C ATOM 243 NZ LYS A 18 8.430 -4.241 -5.078 1.00 0.00 N ATOM 0 H LYS A 18 4.056 -2.558 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 18 6.262 -2.484 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.435 -4.398 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.488 -3.829 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.303 -2.778 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.072 -4.374 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.394 -2.167 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.110 -2.105 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.624 -4.721 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.472 -3.475 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.291 -4.972 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.887 -3.410 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.035 -4.617 -4.320 1.00 0.00 H new ATOM 253 N LYS A 19 6.271 -0.406 -1.968 1.00 0.00 N ATOM 254 CA LYS A 19 6.929 0.771 -2.508 1.00 0.00 C ATOM 255 C LYS A 19 6.888 1.895 -1.470 1.00 0.00 C ATOM 256 O LYS A 19 7.648 2.857 -1.562 1.00 0.00 O ATOM 257 CB LYS A 19 6.317 1.157 -3.857 1.00 0.00 C ATOM 258 CG LYS A 19 6.104 2.670 -3.950 1.00 0.00 C ATOM 259 CD LYS A 19 4.875 3.101 -3.148 1.00 0.00 C ATOM 260 CE LYS A 19 3.682 3.361 -4.070 1.00 0.00 C ATOM 261 NZ LYS A 19 2.467 3.653 -3.277 1.00 0.00 N ATOM 0 H LYS A 19 5.400 -0.659 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 19 7.979 0.561 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.971 0.828 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.365 0.643 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.987 3.189 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.982 2.960 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.618 2.327 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.104 4.003 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.902 4.199 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.509 2.492 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.667 3.827 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.249 2.842 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.630 4.496 -2.690 1.00 0.00 H new ATOM 271 N LEU A 20 5.993 1.733 -0.506 1.00 0.00 N ATOM 272 CA LEU A 20 5.843 2.722 0.548 1.00 0.00 C ATOM 273 C LEU A 20 6.776 2.370 1.708 1.00 0.00 C ATOM 274 O LEU A 20 7.053 3.210 2.564 1.00 0.00 O ATOM 275 CB LEU A 20 4.374 2.851 0.957 1.00 0.00 C ATOM 276 CG LEU A 20 4.008 2.280 2.329 1.00 0.00 C ATOM 277 CD1 LEU A 20 4.568 3.154 3.453 1.00 0.00 C ATOM 278 CD2 LEU A 20 2.496 2.082 2.455 1.00 0.00 C ATOM 0 H LEU A 20 5.365 0.932 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 20 6.138 3.708 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.104 3.907 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.763 2.354 0.204 1.00 0.00 H new ATOM 0 HG LEU A 20 4.470 1.297 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.294 2.726 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.654 3.200 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.156 4.160 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.263 1.675 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.992 3.040 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.154 1.389 1.686 1.00 0.00 H new ATOM 289 N PHE A 21 7.236 1.128 1.700 1.00 0.00 N ATOM 290 CA PHE A 21 8.132 0.655 2.740 1.00 0.00 C ATOM 291 C PHE A 21 9.513 1.301 2.610 1.00 0.00 C ATOM 292 O PHE A 21 10.300 1.289 3.556 1.00 0.00 O ATOM 293 CB PHE A 21 8.271 -0.858 2.557 1.00 0.00 C ATOM 294 CG PHE A 21 7.935 -1.670 3.809 1.00 0.00 C ATOM 295 CD1 PHE A 21 6.639 -1.832 4.188 1.00 0.00 C ATOM 296 CD2 PHE A 21 8.933 -2.229 4.545 1.00 0.00 C ATOM 297 CE1 PHE A 21 6.328 -2.586 5.350 1.00 0.00 C ATOM 298 CE2 PHE A 21 8.622 -2.983 5.707 1.00 0.00 C ATOM 299 CZ PHE A 21 7.326 -3.145 6.086 1.00 0.00 C ATOM 0 H PHE A 21 7.005 0.434 0.989 1.00 0.00 H new ATOM 0 HA PHE A 21 7.731 0.911 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.619 -1.177 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.293 -1.084 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.846 -1.387 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.962 -2.099 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.299 -2.716 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.415 -3.428 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.089 -3.717 6.971 1.00 0.00 H new ATOM 308 N LYS A 22 9.766 1.849 1.431 1.00 0.00 N ATOM 309 CA LYS A 22 11.038 2.499 1.165 1.00 0.00 C ATOM 310 C LYS A 22 11.398 3.405 2.344 1.00 0.00 C ATOM 311 O LYS A 22 12.574 3.673 2.589 1.00 0.00 O ATOM 312 CB LYS A 22 10.997 3.227 -0.181 1.00 0.00 C ATOM 313 CG LYS A 22 10.546 4.678 -0.005 1.00 0.00 C ATOM 314 CD LYS A 22 9.020 4.777 0.036 1.00 0.00 C ATOM 315 CE LYS A 22 8.572 6.107 0.644 1.00 0.00 C ATOM 316 NZ LYS A 22 8.729 7.205 -0.337 1.00 0.00 N ATOM 0 H LYS A 22 9.112 1.856 0.649 1.00 0.00 H new ATOM 0 HA LYS A 22 11.833 1.759 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.984 3.203 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.316 2.710 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.965 5.084 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.931 5.284 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.619 4.681 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.614 3.951 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.530 6.038 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.160 6.322 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.420 8.101 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.728 7.281 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.149 7.006 -1.177 1.00 0.00 H new ATOM 326 N LYS A 23 10.366 3.855 3.041 1.00 0.00 N ATOM 327 CA LYS A 23 10.560 4.726 4.189 1.00 0.00 C ATOM 328 C LYS A 23 10.491 3.894 5.471 1.00 0.00 C ATOM 329 O LYS A 23 11.220 4.161 6.427 1.00 0.00 O ATOM 330 CB LYS A 23 9.563 5.885 4.154 1.00 0.00 C ATOM 331 CG LYS A 23 8.141 5.380 3.903 1.00 0.00 C ATOM 332 CD LYS A 23 7.136 6.101 4.804 1.00 0.00 C ATOM 333 CE LYS A 23 6.816 7.496 4.262 1.00 0.00 C ATOM 334 NZ LYS A 23 7.864 8.461 4.665 1.00 0.00 N ATOM 0 H LYS A 23 9.392 3.633 2.834 1.00 0.00 H new ATOM 0 HA LYS A 23 11.549 5.184 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.598 6.428 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.846 6.589 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.875 5.536 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.095 4.307 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.220 5.515 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.540 6.183 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.743 7.462 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.847 7.825 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.465 9.421 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.214 8.218 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.651 8.423 3.986 1.00 0.00 H new ATOM 344 N TRP A 24 9.611 2.905 5.452 1.00 0.00 N ATOM 345 CA TRP A 24 9.439 2.033 6.601 1.00 0.00 C ATOM 346 C TRP A 24 10.668 1.126 6.696 1.00 0.00 C ATOM 347 O TRP A 24 11.496 1.287 7.591 1.00 0.00 O ATOM 348 CB TRP A 24 8.126 1.254 6.507 1.00 0.00 C ATOM 349 CG TRP A 24 6.879 2.138 6.458 1.00 0.00 C ATOM 350 CD1 TRP A 24 6.815 3.477 6.484 1.00 0.00 C ATOM 351 CD2 TRP A 24 5.510 1.690 6.374 1.00 0.00 C ATOM 352 NE1 TRP A 24 5.510 3.922 6.423 1.00 0.00 N ATOM 353 CE2 TRP A 24 4.691 2.801 6.354 1.00 0.00 C ATOM 354 CE3 TRP A 24 4.980 0.389 6.318 1.00 0.00 C ATOM 355 CZ2 TRP A 24 3.296 2.724 6.277 1.00 0.00 C ATOM 356 CZ3 TRP A 24 3.583 0.329 6.241 1.00 0.00 C ATOM 357 CH2 TRP A 24 2.745 1.438 6.218 1.00 0.00 C ATOM 0 H TRP A 24 9.009 2.688 4.658 1.00 0.00 H new ATOM 0 HA TRP A 24 9.366 2.616 7.519 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.150 0.628 5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.051 0.585 7.364 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.676 4.126 6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.203 4.895 6.428 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.601 -0.494 6.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.677 3.609 6.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.124 -0.648 6.196 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.675 1.308 6.155 1.00 0.00 H new