USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 149 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 13 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.0226 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -10.620 -4.086 -4.927 1.00 0.00 N ATOM 68 CA PHE A 12 -9.902 -4.829 -5.957 1.00 0.00 C ATOM 69 C PHE A 12 -9.481 -3.937 -7.136 1.00 0.00 C ATOM 70 O PHE A 12 -8.354 -3.448 -7.166 1.00 0.00 O ATOM 71 CB PHE A 12 -10.774 -5.991 -6.458 1.00 0.00 C ATOM 72 CG PHE A 12 -12.257 -5.688 -6.501 1.00 0.00 C ATOM 73 CD1 PHE A 12 -12.719 -4.379 -6.568 1.00 0.00 C ATOM 74 CD2 PHE A 12 -13.188 -6.715 -6.487 1.00 0.00 C ATOM 75 CE1 PHE A 12 -14.061 -4.101 -6.620 1.00 0.00 C ATOM 76 CE2 PHE A 12 -14.543 -6.441 -6.536 1.00 0.00 C ATOM 77 CZ PHE A 12 -14.981 -5.131 -6.603 1.00 0.00 C ATOM 0 HA PHE A 12 -8.988 -5.217 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.444 -6.272 -7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.611 -6.855 -5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.008 -3.566 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.852 -7.740 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.398 -3.077 -6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.259 -7.250 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.038 -4.914 -6.642 1.00 0.00 H new ATOM 87 N THR A 13 -10.382 -3.720 -8.096 1.00 0.00 N ATOM 88 CA THR A 13 -10.100 -2.865 -9.245 1.00 0.00 C ATOM 89 C THR A 13 -10.590 -1.439 -9.010 1.00 0.00 C ATOM 90 O THR A 13 -9.799 -0.513 -8.846 1.00 0.00 O ATOM 91 CB THR A 13 -10.728 -3.442 -10.515 1.00 0.00 C ATOM 92 OG1 THR A 13 -11.769 -4.348 -10.195 1.00 0.00 O ATOM 93 CG2 THR A 13 -9.736 -4.175 -11.392 1.00 0.00 C ATOM 0 H THR A 13 -11.317 -4.128 -8.098 1.00 0.00 H new ATOM 0 HA THR A 13 -9.018 -2.832 -9.375 1.00 0.00 H new ATOM 0 HB THR A 13 -11.110 -2.581 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.158 -4.704 -11.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.246 -4.559 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.946 -3.490 -11.698 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.301 -5.005 -10.835 1.00 0.00 H new ATOM 101 N SER A 14 -11.916 -1.278 -9.019 1.00 0.00 N ATOM 102 CA SER A 14 -12.544 0.027 -8.826 1.00 0.00 C ATOM 103 C SER A 14 -12.684 0.355 -7.343 1.00 0.00 C ATOM 104 O SER A 14 -12.336 1.453 -6.908 1.00 0.00 O ATOM 105 CB SER A 14 -13.918 0.058 -9.497 1.00 0.00 C ATOM 106 OG SER A 14 -13.829 -0.320 -10.860 1.00 0.00 O ATOM 0 H SER A 14 -12.577 -2.042 -9.159 1.00 0.00 H new ATOM 0 HA SER A 14 -11.903 0.780 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.597 -0.615 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.341 1.060 -9.421 1.00 0.00 H new ATOM 0 HG SER A 14 -14.721 -0.294 -11.266 1.00 0.00 H new ATOM 112 N ASP A 15 -13.180 -0.610 -6.566 1.00 0.00 N ATOM 113 CA ASP A 15 -13.347 -0.430 -5.122 1.00 0.00 C ATOM 114 C ASP A 15 -12.095 0.203 -4.524 1.00 0.00 C ATOM 115 O ASP A 15 -12.150 0.925 -3.528 1.00 0.00 O ATOM 116 CB ASP A 15 -13.609 -1.778 -4.446 1.00 0.00 C ATOM 117 CG ASP A 15 -15.062 -2.202 -4.542 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.912 -1.345 -4.863 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.350 -3.393 -4.296 1.00 0.00 O ATOM 0 H ASP A 15 -13.473 -1.524 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.200 0.227 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.980 -2.540 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.320 -1.717 -3.397 1.00 0.00 H new ATOM 124 N VAL A 16 -10.971 -0.085 -5.165 1.00 0.00 N ATOM 125 CA VAL A 16 -9.667 0.422 -4.764 1.00 0.00 C ATOM 126 C VAL A 16 -9.730 1.887 -4.329 1.00 0.00 C ATOM 127 O VAL A 16 -9.138 2.272 -3.323 1.00 0.00 O ATOM 128 CB VAL A 16 -8.671 0.267 -5.930 1.00 0.00 C ATOM 129 CG1 VAL A 16 -8.705 -1.155 -6.455 1.00 0.00 C ATOM 130 CG2 VAL A 16 -8.982 1.260 -7.042 1.00 0.00 C ATOM 0 H VAL A 16 -10.939 -0.685 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.333 -0.162 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.667 0.480 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.998 -1.256 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.432 -1.844 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.709 -1.389 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.266 1.132 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.991 1.084 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.912 2.276 -6.653 1.00 0.00 H new ATOM 140 N SER A 17 -10.458 2.699 -5.091 1.00 0.00 N ATOM 141 CA SER A 17 -10.599 4.119 -4.780 1.00 0.00 C ATOM 142 C SER A 17 -10.932 4.332 -3.305 1.00 0.00 C ATOM 143 O SER A 17 -10.634 5.382 -2.736 1.00 0.00 O ATOM 144 CB SER A 17 -11.686 4.747 -5.655 1.00 0.00 C ATOM 145 OG SER A 17 -11.344 6.074 -6.020 1.00 0.00 O ATOM 0 H SER A 17 -10.959 2.399 -5.927 1.00 0.00 H new ATOM 0 HA SER A 17 -9.645 4.603 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.828 4.145 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.635 4.747 -5.118 1.00 0.00 H new ATOM 0 HG SER A 17 -12.054 6.452 -6.580 1.00 0.00 H new ATOM 151 N SER A 18 -11.555 3.329 -2.692 1.00 0.00 N ATOM 152 CA SER A 18 -11.931 3.406 -1.287 1.00 0.00 C ATOM 153 C SER A 18 -10.713 3.283 -0.374 1.00 0.00 C ATOM 154 O SER A 18 -10.637 3.947 0.659 1.00 0.00 O ATOM 155 CB SER A 18 -12.944 2.311 -0.951 1.00 0.00 C ATOM 156 OG SER A 18 -14.224 2.623 -1.473 1.00 0.00 O ATOM 0 H SER A 18 -11.810 2.453 -3.149 1.00 0.00 H new ATOM 0 HA SER A 18 -12.383 4.383 -1.118 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.604 1.359 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.008 2.190 0.130 1.00 0.00 H new ATOM 0 HG SER A 18 -14.853 1.907 -1.246 1.00 0.00 H new ATOM 162 N TYR A 19 -9.764 2.426 -0.749 1.00 0.00 N ATOM 163 CA TYR A 19 -8.565 2.229 0.060 1.00 0.00 C ATOM 164 C TYR A 19 -7.747 3.518 0.147 1.00 0.00 C ATOM 165 O TYR A 19 -6.924 3.679 1.047 1.00 0.00 O ATOM 166 CB TYR A 19 -7.713 1.069 -0.491 1.00 0.00 C ATOM 167 CG TYR A 19 -6.656 1.464 -1.507 1.00 0.00 C ATOM 168 CD1 TYR A 19 -5.515 2.158 -1.119 1.00 0.00 C ATOM 169 CD2 TYR A 19 -6.793 1.128 -2.848 1.00 0.00 C ATOM 170 CE1 TYR A 19 -4.545 2.507 -2.038 1.00 0.00 C ATOM 171 CE2 TYR A 19 -5.827 1.476 -3.773 1.00 0.00 C ATOM 172 CZ TYR A 19 -4.705 2.165 -3.363 1.00 0.00 C ATOM 173 OH TYR A 19 -3.741 2.511 -4.281 1.00 0.00 O ATOM 0 H TYR A 19 -9.802 1.863 -1.599 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.880 1.963 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.221 0.572 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.378 0.338 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.385 2.429 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.669 0.586 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.665 3.046 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.950 1.210 -4.812 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.007 2.194 -5.170 1.00 0.00 H new ATOM 183 N LEU A 20 -7.981 4.432 -0.792 1.00 0.00 N ATOM 184 CA LEU A 20 -7.266 5.703 -0.815 1.00 0.00 C ATOM 185 C LEU A 20 -7.680 6.581 0.363 1.00 0.00 C ATOM 186 O LEU A 20 -8.348 7.600 0.186 1.00 0.00 O ATOM 187 CB LEU A 20 -7.532 6.440 -2.131 1.00 0.00 C ATOM 188 CG LEU A 20 -7.460 5.574 -3.389 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.730 6.413 -4.629 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.103 4.896 -3.490 1.00 0.00 C ATOM 0 H LEU A 20 -8.659 4.315 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.200 5.492 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.521 6.896 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.811 7.252 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.227 4.802 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.675 5.781 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.724 6.855 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.985 7.205 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.068 4.283 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.320 5.653 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.946 4.264 -2.616 1.00 0.00 H new ATOM 261 N LYS A 26 0.763 3.132 2.320 1.00 0.00 N ATOM 262 CA LYS A 26 1.780 3.023 1.281 1.00 0.00 C ATOM 263 C LYS A 26 3.147 3.448 1.812 1.00 0.00 C ATOM 264 O LYS A 26 4.179 3.105 1.239 1.00 0.00 O ATOM 265 CB LYS A 26 1.396 3.872 0.068 1.00 0.00 C ATOM 266 CG LYS A 26 -0.044 3.674 -0.378 1.00 0.00 C ATOM 267 CD LYS A 26 -0.176 2.517 -1.359 1.00 0.00 C ATOM 268 CE LYS A 26 -1.215 1.507 -0.894 1.00 0.00 C ATOM 269 NZ LYS A 26 -0.824 0.857 0.355 1.00 0.00 N ATOM 0 HA LYS A 26 1.841 1.979 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.553 4.924 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.061 3.630 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.672 3.486 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.410 4.589 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.454 2.901 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.789 2.022 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.173 2.009 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.358 0.752 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.314 -0.056 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.204 0.699 0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.083 1.465 1.158 1.00 0.00 H new ATOM 281 N GLU A 27 3.145 4.201 2.909 1.00 0.00 N ATOM 282 CA GLU A 27 4.383 4.677 3.515 1.00 0.00 C ATOM 283 C GLU A 27 5.289 3.516 3.917 1.00 0.00 C ATOM 284 O GLU A 27 6.513 3.650 3.921 1.00 0.00 O ATOM 285 CB GLU A 27 4.076 5.544 4.738 1.00 0.00 C ATOM 286 CG GLU A 27 5.315 6.132 5.395 1.00 0.00 C ATOM 287 CD GLU A 27 6.084 7.057 4.472 1.00 0.00 C ATOM 288 OE1 GLU A 27 5.655 8.217 4.303 1.00 0.00 O ATOM 289 OE2 GLU A 27 7.114 6.620 3.915 1.00 0.00 O ATOM 0 H GLU A 27 2.298 4.494 3.396 1.00 0.00 H new ATOM 0 HA GLU A 27 4.908 5.276 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.413 6.356 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.536 4.945 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.021 6.681 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.969 5.322 5.718 1.00 0.00 H new ATOM 296 N PHE A 28 4.688 2.378 4.261 1.00 0.00 N ATOM 297 CA PHE A 28 5.460 1.206 4.666 1.00 0.00 C ATOM 298 C PHE A 28 6.013 0.464 3.449 1.00 0.00 C ATOM 299 O PHE A 28 7.169 0.040 3.444 1.00 0.00 O ATOM 300 CB PHE A 28 4.603 0.270 5.541 1.00 0.00 C ATOM 301 CG PHE A 28 3.744 -0.698 4.775 1.00 0.00 C ATOM 302 CD1 PHE A 28 4.309 -1.767 4.095 1.00 0.00 C ATOM 303 CD2 PHE A 28 2.372 -0.540 4.742 1.00 0.00 C ATOM 304 CE1 PHE A 28 3.517 -2.656 3.395 1.00 0.00 C ATOM 305 CE2 PHE A 28 1.576 -1.425 4.044 1.00 0.00 C ATOM 306 CZ PHE A 28 2.149 -2.484 3.369 1.00 0.00 C ATOM 0 H PHE A 28 3.677 2.243 4.267 1.00 0.00 H new ATOM 0 HA PHE A 28 6.308 1.547 5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.263 -0.294 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.961 0.878 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.380 -1.906 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.917 0.286 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.968 -3.484 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.505 -1.289 4.026 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.527 -3.177 2.821 1.00 0.00 H new ATOM 316 N ILE A 29 5.184 0.305 2.419 1.00 0.00 N ATOM 317 CA ILE A 29 5.601 -0.393 1.205 1.00 0.00 C ATOM 318 C ILE A 29 6.935 0.141 0.687 1.00 0.00 C ATOM 319 O ILE A 29 7.695 -0.580 0.040 1.00 0.00 O ATOM 320 CB ILE A 29 4.525 -0.294 0.094 1.00 0.00 C ATOM 321 CG1 ILE A 29 4.730 -1.405 -0.940 1.00 0.00 C ATOM 322 CG2 ILE A 29 4.543 1.075 -0.578 1.00 0.00 C ATOM 323 CD1 ILE A 29 3.835 -2.606 -0.720 1.00 0.00 C ATOM 0 H ILE A 29 4.224 0.648 2.401 1.00 0.00 H new ATOM 0 HA ILE A 29 5.726 -1.443 1.470 1.00 0.00 H new ATOM 0 HB ILE A 29 3.547 -0.420 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.546 -1.002 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.771 -1.728 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.776 1.110 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.345 1.848 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.521 1.247 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.034 -3.353 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.035 -3.034 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.791 -2.297 -0.776 1.00 0.00 H new ATOM 335 N ALA A 30 7.218 1.405 0.986 1.00 0.00 N ATOM 336 CA ALA A 30 8.463 2.028 0.561 1.00 0.00 C ATOM 337 C ALA A 30 9.620 1.554 1.431 1.00 0.00 C ATOM 338 O ALA A 30 10.756 1.447 0.970 1.00 0.00 O ATOM 339 CB ALA A 30 8.343 3.544 0.614 1.00 0.00 C ATOM 0 H ALA A 30 6.601 2.016 1.521 1.00 0.00 H new ATOM 0 HA ALA A 30 8.663 1.733 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.282 3.995 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.540 3.869 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.121 3.856 1.634 1.00 0.00 H new ATOM 345 N TRP A 31 9.317 1.267 2.694 1.00 0.00 N ATOM 346 CA TRP A 31 10.324 0.797 3.637 1.00 0.00 C ATOM 347 C TRP A 31 10.902 -0.544 3.186 1.00 0.00 C ATOM 348 O TRP A 31 12.105 -0.675 2.967 1.00 0.00 O ATOM 349 CB TRP A 31 9.711 0.672 5.047 1.00 0.00 C ATOM 350 CG TRP A 31 9.872 -0.690 5.664 1.00 0.00 C ATOM 351 CD1 TRP A 31 11.045 -1.283 6.034 1.00 0.00 C ATOM 352 CD2 TRP A 31 8.833 -1.632 5.968 1.00 0.00 C ATOM 353 NE1 TRP A 31 10.803 -2.535 6.541 1.00 0.00 N ATOM 354 CE2 TRP A 31 9.454 -2.771 6.513 1.00 0.00 C ATOM 355 CE3 TRP A 31 7.438 -1.629 5.834 1.00 0.00 C ATOM 356 CZ2 TRP A 31 8.732 -3.888 6.920 1.00 0.00 C ATOM 357 CZ3 TRP A 31 6.727 -2.740 6.243 1.00 0.00 C ATOM 358 CH2 TRP A 31 7.376 -3.855 6.779 1.00 0.00 C ATOM 0 H TRP A 31 8.380 1.352 3.087 1.00 0.00 H new ATOM 0 HA TRP A 31 11.136 1.524 3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.173 1.413 5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.649 0.912 4.993 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.022 -0.832 5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 31 11.512 -3.184 6.883 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.928 -0.773 5.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.229 -4.753 7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 5.651 -2.747 6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.791 -4.709 7.088 1.00 0.00 H new ATOM 369 N LEU A 32 10.032 -1.539 3.078 1.00 0.00 N ATOM 370 CA LEU A 32 10.437 -2.882 2.685 1.00 0.00 C ATOM 371 C LEU A 32 11.072 -2.907 1.300 1.00 0.00 C ATOM 372 O LEU A 32 12.120 -3.519 1.097 1.00 0.00 O ATOM 373 CB LEU A 32 9.233 -3.820 2.711 1.00 0.00 C ATOM 374 CG LEU A 32 7.974 -3.258 2.052 1.00 0.00 C ATOM 375 CD1 LEU A 32 7.816 -3.799 0.641 1.00 0.00 C ATOM 376 CD2 LEU A 32 6.749 -3.581 2.885 1.00 0.00 C ATOM 0 H LEU A 32 9.033 -1.440 3.259 1.00 0.00 H new ATOM 0 HA LEU A 32 11.186 -3.217 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.503 -4.751 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.005 -4.068 3.748 1.00 0.00 H new ATOM 0 HG LEU A 32 8.076 -2.174 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.913 -3.385 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.682 -3.515 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.739 -4.886 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.862 -3.173 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.647 -4.662 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.856 -3.140 3.876 1.00 0.00 H new ATOM 388 N VAL A 33 10.420 -2.261 0.345 1.00 0.00 N ATOM 389 CA VAL A 33 10.911 -2.234 -1.024 1.00 0.00 C ATOM 390 C VAL A 33 12.244 -1.494 -1.139 1.00 0.00 C ATOM 391 O VAL A 33 13.012 -1.729 -2.071 1.00 0.00 O ATOM 392 CB VAL A 33 9.877 -1.592 -1.970 1.00 0.00 C ATOM 393 CG1 VAL A 33 9.783 -0.092 -1.729 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.218 -1.894 -3.421 1.00 0.00 C ATOM 0 H VAL A 33 9.550 -1.749 0.493 1.00 0.00 H new ATOM 0 HA VAL A 33 11.071 -3.271 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 33 8.900 -2.026 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.047 0.340 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.479 0.093 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.755 0.367 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.476 -1.432 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.205 -1.494 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.217 -2.973 -3.578 1.00 0.00 H new ATOM 404 N ARG A 34 12.515 -0.601 -0.191 1.00 0.00 N ATOM 405 CA ARG A 34 13.759 0.163 -0.202 1.00 0.00 C ATOM 406 C ARG A 34 14.679 -0.271 0.936 1.00 0.00 C ATOM 407 O ARG A 34 15.667 -0.971 0.715 1.00 0.00 O ATOM 408 CB ARG A 34 13.465 1.661 -0.097 1.00 0.00 C ATOM 409 CG ARG A 34 12.631 2.200 -1.249 1.00 0.00 C ATOM 410 CD ARG A 34 12.540 3.718 -1.212 1.00 0.00 C ATOM 411 NE ARG A 34 13.089 4.330 -2.420 1.00 0.00 N ATOM 412 CZ ARG A 34 12.805 5.567 -2.821 1.00 0.00 C ATOM 413 NH1 ARG A 34 11.981 6.329 -2.113 1.00 0.00 N ATOM 414 NH2 ARG A 34 13.349 6.045 -3.931 1.00 0.00 N ATOM 0 H ARG A 34 11.894 -0.389 0.590 1.00 0.00 H new ATOM 0 HA ARG A 34 14.266 -0.034 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.944 1.856 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.408 2.206 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.070 1.884 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.629 1.774 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.498 4.016 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.077 4.092 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 34 13.728 3.776 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.561 5.968 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.767 7.276 -2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.985 5.465 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.131 6.993 -4.238 1.00 0.00 H new