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 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -1.41! (180deg=-1.66!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N ALA A 11 -5.226 -8.114 -3.754 1.00 0.00 N ATOM 135 CA ALA A 11 -4.071 -8.969 -3.539 1.00 0.00 C ATOM 136 C ALA A 11 -2.821 -8.278 -4.088 1.00 0.00 C ATOM 137 O ALA A 11 -2.037 -7.712 -3.328 1.00 0.00 O ATOM 138 CB ALA A 11 -4.317 -10.332 -4.190 1.00 0.00 C ATOM 0 HA ALA A 11 -3.913 -9.140 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.451 -10.974 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.198 -10.794 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.477 -10.201 -5.260 1.00 0.00 H new ATOM 144 N THR A 12 -2.674 -8.347 -5.403 1.00 0.00 N ATOM 145 CA THR A 12 -1.533 -7.735 -6.061 1.00 0.00 C ATOM 146 C THR A 12 -1.200 -6.390 -5.412 1.00 0.00 C ATOM 147 O THR A 12 -0.044 -6.121 -5.090 1.00 0.00 O ATOM 148 CB THR A 12 -1.850 -7.627 -7.553 1.00 0.00 C ATOM 149 OG1 THR A 12 -0.900 -6.685 -8.044 1.00 0.00 O ATOM 150 CG2 THR A 12 -3.203 -6.964 -7.819 1.00 0.00 C ATOM 0 H THR A 12 -3.326 -8.818 -6.030 1.00 0.00 H new ATOM 0 HA THR A 12 -0.637 -8.345 -5.947 1.00 0.00 H new ATOM 0 HB THR A 12 -1.840 -8.622 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.034 -6.557 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.378 -6.913 -8.894 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.994 -7.550 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.203 -5.957 -7.403 1.00 0.00 H new ATOM 158 N ALA A 13 -2.236 -5.581 -5.239 1.00 0.00 N ATOM 159 CA ALA A 13 -2.068 -4.271 -4.634 1.00 0.00 C ATOM 160 C ALA A 13 -1.069 -4.370 -3.480 1.00 0.00 C ATOM 161 O ALA A 13 -0.214 -3.501 -3.315 1.00 0.00 O ATOM 162 CB ALA A 13 -3.430 -3.738 -4.183 1.00 0.00 C ATOM 0 H ALA A 13 -3.194 -5.808 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.665 -3.563 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.304 -2.755 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.093 -3.657 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.865 -4.421 -3.454 1.00 0.00 H new ATOM 168 N ILE A 14 -1.210 -5.438 -2.708 1.00 0.00 N ATOM 169 CA ILE A 14 -0.330 -5.664 -1.574 1.00 0.00 C ATOM 170 C ILE A 14 1.120 -5.441 -2.006 1.00 0.00 C ATOM 171 O ILE A 14 1.842 -4.659 -1.389 1.00 0.00 O ATOM 172 CB ILE A 14 -0.585 -7.043 -0.963 1.00 0.00 C ATOM 173 CG1 ILE A 14 -2.016 -7.152 -0.431 1.00 0.00 C ATOM 174 CG2 ILE A 14 0.453 -7.367 0.112 1.00 0.00 C ATOM 175 CD1 ILE A 14 -2.511 -8.598 -0.481 1.00 0.00 C ATOM 0 H ILE A 14 -1.921 -6.156 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.540 -4.947 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.477 -7.790 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.055 -6.786 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.677 -6.517 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.248 -8.353 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.449 -7.360 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.402 -6.620 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.530 -8.647 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.494 -8.953 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.863 -9.226 0.130 1.00 0.00 H new ATOM 186 N LYS A 15 1.503 -6.142 -3.062 1.00 0.00 N ATOM 187 CA LYS A 15 2.855 -6.031 -3.584 1.00 0.00 C ATOM 188 C LYS A 15 3.252 -4.555 -3.649 1.00 0.00 C ATOM 189 O LYS A 15 4.375 -4.194 -3.303 1.00 0.00 O ATOM 190 CB LYS A 15 2.973 -6.758 -4.925 1.00 0.00 C ATOM 191 CG LYS A 15 4.048 -6.117 -5.804 1.00 0.00 C ATOM 192 CD LYS A 15 3.446 -5.036 -6.705 1.00 0.00 C ATOM 193 CE LYS A 15 4.349 -4.758 -7.907 1.00 0.00 C ATOM 194 NZ LYS A 15 3.553 -4.717 -9.155 1.00 0.00 N ATOM 0 H LYS A 15 0.901 -6.789 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 15 3.562 -6.524 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.216 -7.807 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.014 -6.733 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.824 -5.681 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.526 -6.882 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.462 -5.352 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.303 -4.119 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.868 -3.809 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.114 -5.531 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.182 -4.527 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.078 -5.632 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.840 -3.963 -9.087 1.00 0.00 H new ATOM 204 N GLN A 16 2.307 -3.740 -4.097 1.00 0.00 N ATOM 205 CA GLN A 16 2.545 -2.311 -4.212 1.00 0.00 C ATOM 206 C GLN A 16 2.994 -1.738 -2.866 1.00 0.00 C ATOM 207 O GLN A 16 3.927 -0.937 -2.809 1.00 0.00 O ATOM 208 CB GLN A 16 1.298 -1.588 -4.726 1.00 0.00 C ATOM 209 CG GLN A 16 0.624 -0.793 -3.606 1.00 0.00 C ATOM 210 CD GLN A 16 -0.636 -0.089 -4.114 1.00 0.00 C ATOM 211 OE1 GLN A 16 -1.227 -0.464 -5.114 1.00 0.00 O ATOM 212 NE2 GLN A 16 -1.012 0.950 -3.375 1.00 0.00 N ATOM 0 H GLN A 16 1.376 -4.042 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 16 3.343 -2.152 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.572 -0.916 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.595 -2.314 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.365 -1.462 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.321 -0.056 -3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.472 1.211 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.840 1.486 -3.633 1.00 0.00 H new ATOM 219 N VAL A 17 2.312 -2.170 -1.817 1.00 0.00 N ATOM 220 CA VAL A 17 2.630 -1.710 -0.476 1.00 0.00 C ATOM 221 C VAL A 17 4.110 -1.969 -0.189 1.00 0.00 C ATOM 222 O VAL A 17 4.754 -1.196 0.519 1.00 0.00 O ATOM 223 CB VAL A 17 1.699 -2.375 0.541 1.00 0.00 C ATOM 224 CG1 VAL A 17 2.188 -3.781 0.893 1.00 0.00 C ATOM 225 CG2 VAL A 17 1.553 -1.514 1.797 1.00 0.00 C ATOM 0 H VAL A 17 1.540 -2.834 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 17 2.466 -0.636 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 17 0.714 -2.467 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.509 -4.232 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.215 -4.393 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.188 -3.722 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.886 -2.010 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.531 -1.374 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.138 -0.543 1.526 1.00 0.00 H new ATOM 235 N LYS A 18 4.607 -3.060 -0.754 1.00 0.00 N ATOM 236 CA LYS A 18 5.999 -3.431 -0.570 1.00 0.00 C ATOM 237 C LYS A 18 6.895 -2.369 -1.210 1.00 0.00 C ATOM 238 O LYS A 18 7.963 -2.054 -0.686 1.00 0.00 O ATOM 239 CB LYS A 18 6.251 -4.845 -1.095 1.00 0.00 C ATOM 240 CG LYS A 18 7.570 -4.916 -1.868 1.00 0.00 C ATOM 241 CD LYS A 18 7.374 -4.499 -3.326 1.00 0.00 C ATOM 242 CE LYS A 18 7.159 -5.722 -4.221 1.00 0.00 C ATOM 243 NZ LYS A 18 7.041 -5.312 -5.639 1.00 0.00 N ATOM 0 H LYS A 18 4.069 -3.699 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 18 6.247 -3.461 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.275 -5.547 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.429 -5.148 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.307 -4.267 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.966 -5.931 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.517 -3.831 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.245 -3.941 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.992 -6.416 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.257 -6.252 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.680 -6.109 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.384 -4.509 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.976 -5.030 -5.998 1.00 0.00 H new ATOM 253 N LYS A 19 6.427 -1.844 -2.332 1.00 0.00 N ATOM 254 CA LYS A 19 7.172 -0.823 -3.050 1.00 0.00 C ATOM 255 C LYS A 19 7.203 0.459 -2.217 1.00 0.00 C ATOM 256 O LYS A 19 8.029 1.339 -2.454 1.00 0.00 O ATOM 257 CB LYS A 19 6.600 -0.630 -4.455 1.00 0.00 C ATOM 258 CG LYS A 19 6.492 0.856 -4.803 1.00 0.00 C ATOM 259 CD LYS A 19 5.283 1.493 -4.114 1.00 0.00 C ATOM 260 CE LYS A 19 4.118 1.658 -5.092 1.00 0.00 C ATOM 261 NZ LYS A 19 4.290 2.884 -5.902 1.00 0.00 N ATOM 0 H LYS A 19 5.540 -2.106 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 19 8.206 -1.136 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.237 -1.132 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.616 -1.095 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.403 1.372 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.404 0.975 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.971 0.874 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.562 2.465 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.059 0.788 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.178 1.707 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.491 2.980 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.324 3.713 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.177 2.822 -6.441 1.00 0.00 H new ATOM 271 N LEU A 20 6.292 0.526 -1.256 1.00 0.00 N ATOM 272 CA LEU A 20 6.204 1.686 -0.387 1.00 0.00 C ATOM 273 C LEU A 20 7.109 1.477 0.830 1.00 0.00 C ATOM 274 O LEU A 20 7.431 2.428 1.540 1.00 0.00 O ATOM 275 CB LEU A 20 4.746 1.976 -0.024 1.00 0.00 C ATOM 276 CG LEU A 20 4.337 1.661 1.415 1.00 0.00 C ATOM 277 CD1 LEU A 20 4.961 2.658 2.393 1.00 0.00 C ATOM 278 CD2 LEU A 20 2.815 1.600 1.553 1.00 0.00 C ATOM 0 H LEU A 20 5.608 -0.205 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 20 6.563 2.576 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.548 3.031 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.105 1.405 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 20 4.723 0.674 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.654 2.411 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.047 2.608 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.627 3.666 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.552 1.374 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.385 2.561 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.421 0.821 0.900 1.00 0.00 H new ATOM 289 N PHE A 21 7.495 0.225 1.031 1.00 0.00 N ATOM 290 CA PHE A 21 8.357 -0.121 2.149 1.00 0.00 C ATOM 291 C PHE A 21 9.783 0.383 1.919 1.00 0.00 C ATOM 292 O PHE A 21 10.561 0.508 2.864 1.00 0.00 O ATOM 293 CB PHE A 21 8.377 -1.648 2.241 1.00 0.00 C ATOM 294 CG PHE A 21 7.969 -2.195 3.610 1.00 0.00 C ATOM 295 CD1 PHE A 21 6.655 -2.236 3.961 1.00 0.00 C ATOM 296 CD2 PHE A 21 8.918 -2.641 4.476 1.00 0.00 C ATOM 297 CE1 PHE A 21 6.276 -2.743 5.231 1.00 0.00 C ATOM 298 CE2 PHE A 21 8.538 -3.149 5.746 1.00 0.00 C ATOM 299 CZ PHE A 21 7.225 -3.189 6.098 1.00 0.00 C ATOM 0 H PHE A 21 7.227 -0.561 0.439 1.00 0.00 H new ATOM 0 HA PHE A 21 7.982 0.337 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.707 -2.056 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.380 -2.003 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.901 -1.883 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.961 -2.609 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.233 -2.775 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.292 -3.504 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.936 -3.574 7.065 1.00 0.00 H new ATOM 308 N LYS A 22 10.081 0.661 0.659 1.00 0.00 N ATOM 309 CA LYS A 22 11.400 1.150 0.292 1.00 0.00 C ATOM 310 C LYS A 22 11.726 2.395 1.120 1.00 0.00 C ATOM 311 O LYS A 22 12.889 2.771 1.252 1.00 0.00 O ATOM 312 CB LYS A 22 11.488 1.374 -1.218 1.00 0.00 C ATOM 313 CG LYS A 22 11.265 2.847 -1.567 1.00 0.00 C ATOM 314 CD LYS A 22 9.773 3.181 -1.607 1.00 0.00 C ATOM 315 CE LYS A 22 9.527 4.643 -1.227 1.00 0.00 C ATOM 316 NZ LYS A 22 9.021 5.404 -2.390 1.00 0.00 N ATOM 0 H LYS A 22 9.432 0.557 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 22 12.161 0.405 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.465 1.054 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.744 0.760 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.763 3.478 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.717 3.068 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.381 2.990 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.232 2.528 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.808 4.696 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.453 5.092 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.860 6.394 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.720 5.369 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.127 4.986 -2.716 1.00 0.00 H new ATOM 326 N LYS A 23 10.676 3.002 1.655 1.00 0.00 N ATOM 327 CA LYS A 23 10.835 4.197 2.465 1.00 0.00 C ATOM 328 C LYS A 23 10.768 3.817 3.946 1.00 0.00 C ATOM 329 O LYS A 23 11.296 4.530 4.798 1.00 0.00 O ATOM 330 CB LYS A 23 9.815 5.261 2.057 1.00 0.00 C ATOM 331 CG LYS A 23 8.386 4.774 2.303 1.00 0.00 C ATOM 332 CD LYS A 23 7.577 5.815 3.080 1.00 0.00 C ATOM 333 CE LYS A 23 6.075 5.613 2.869 1.00 0.00 C ATOM 334 NZ LYS A 23 5.319 6.774 3.385 1.00 0.00 N ATOM 0 H LYS A 23 9.712 2.688 1.543 1.00 0.00 H new ATOM 0 HA LYS A 23 11.814 4.645 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.993 6.176 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.943 5.507 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.899 4.568 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.408 3.837 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.811 5.744 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.862 6.817 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.866 5.478 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.749 4.705 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.302 6.621 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.505 6.885 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.618 7.634 2.882 1.00 0.00 H new ATOM 344 N TRP A 24 10.116 2.695 4.207 1.00 0.00 N ATOM 345 CA TRP A 24 9.973 2.210 5.569 1.00 0.00 C ATOM 346 C TRP A 24 11.261 1.478 5.949 1.00 0.00 C ATOM 347 O TRP A 24 11.527 0.385 5.450 1.00 0.00 O ATOM 348 CB TRP A 24 8.724 1.339 5.714 1.00 0.00 C ATOM 349 CG TRP A 24 7.409 2.120 5.658 1.00 0.00 C ATOM 350 CD1 TRP A 24 7.239 3.434 5.461 1.00 0.00 C ATOM 351 CD2 TRP A 24 6.080 1.577 5.810 1.00 0.00 C ATOM 352 NE1 TRP A 24 5.902 3.777 5.474 1.00 0.00 N ATOM 353 CE2 TRP A 24 5.175 2.613 5.693 1.00 0.00 C ATOM 354 CE3 TRP A 24 5.657 0.257 6.037 1.00 0.00 C ATOM 355 CZ2 TRP A 24 3.790 2.435 5.791 1.00 0.00 C ATOM 356 CZ3 TRP A 24 4.270 0.095 6.132 1.00 0.00 C ATOM 357 CH2 TRP A 24 3.345 1.127 6.018 1.00 0.00 C ATOM 0 H TRP A 24 9.680 2.106 3.497 1.00 0.00 H new ATOM 0 HA TRP A 24 9.829 3.041 6.260 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.723 0.589 4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.776 0.803 6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.046 4.136 5.311 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.518 4.713 5.346 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.348 -0.568 6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.102 3.262 5.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.892 -0.901 6.306 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.288 0.921 6.104 1.00 0.00 H new