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 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+ -154:sc= 0.133 (180deg=-0.549) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -17.759 -0.006 -3.132 1.00 0.00 N ATOM 68 CA PHE A 12 -16.491 -0.658 -2.824 1.00 0.00 C ATOM 69 C PHE A 12 -15.338 -0.006 -3.579 1.00 0.00 C ATOM 70 O PHE A 12 -14.192 -0.054 -3.135 1.00 0.00 O ATOM 71 CB PHE A 12 -16.564 -2.147 -3.164 1.00 0.00 C ATOM 72 CG PHE A 12 -16.771 -2.421 -4.627 1.00 0.00 C ATOM 73 CD1 PHE A 12 -18.029 -2.300 -5.196 1.00 0.00 C ATOM 74 CD2 PHE A 12 -15.709 -2.800 -5.431 1.00 0.00 C ATOM 75 CE1 PHE A 12 -18.223 -2.551 -6.540 1.00 0.00 C ATOM 76 CE2 PHE A 12 -15.897 -3.053 -6.777 1.00 0.00 C ATOM 77 CZ PHE A 12 -17.155 -2.928 -7.332 1.00 0.00 C ATOM 0 HA PHE A 12 -16.306 -0.544 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.643 -2.631 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.379 -2.601 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -18.867 -2.006 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.723 -2.899 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.208 -2.453 -6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.061 -3.348 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.304 -3.125 -8.383 1.00 0.00 H new ATOM 87 N THR A 13 -15.645 0.605 -4.723 1.00 0.00 N ATOM 88 CA THR A 13 -14.630 1.267 -5.540 1.00 0.00 C ATOM 89 C THR A 13 -13.700 2.121 -4.681 1.00 0.00 C ATOM 90 O THR A 13 -12.478 2.055 -4.816 1.00 0.00 O ATOM 91 CB THR A 13 -15.295 2.136 -6.608 1.00 0.00 C ATOM 92 OG1 THR A 13 -14.323 2.843 -7.357 1.00 0.00 O ATOM 93 CG2 THR A 13 -16.262 3.152 -6.037 1.00 0.00 C ATOM 0 H THR A 13 -16.590 0.655 -5.105 1.00 0.00 H new ATOM 0 HA THR A 13 -14.034 0.494 -6.025 1.00 0.00 H new ATOM 0 HB THR A 13 -15.851 1.442 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.769 3.392 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.698 3.735 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.054 2.636 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.731 3.818 -5.357 1.00 0.00 H new ATOM 101 N SER A 14 -14.288 2.918 -3.795 1.00 0.00 N ATOM 102 CA SER A 14 -13.515 3.779 -2.909 1.00 0.00 C ATOM 103 C SER A 14 -13.179 3.055 -1.608 1.00 0.00 C ATOM 104 O SER A 14 -12.177 3.357 -0.959 1.00 0.00 O ATOM 105 CB SER A 14 -14.289 5.064 -2.607 1.00 0.00 C ATOM 106 OG SER A 14 -13.416 6.101 -2.195 1.00 0.00 O ATOM 0 H SER A 14 -15.298 2.985 -3.672 1.00 0.00 H new ATOM 0 HA SER A 14 -12.584 4.036 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.838 5.378 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.026 4.873 -1.827 1.00 0.00 H new ATOM 0 HG SER A 14 -13.935 6.911 -2.010 1.00 0.00 H new ATOM 112 N ASP A 15 -14.024 2.099 -1.233 1.00 0.00 N ATOM 113 CA ASP A 15 -13.820 1.332 -0.010 1.00 0.00 C ATOM 114 C ASP A 15 -12.647 0.364 -0.151 1.00 0.00 C ATOM 115 O ASP A 15 -12.090 -0.096 0.845 1.00 0.00 O ATOM 116 CB ASP A 15 -15.091 0.560 0.348 1.00 0.00 C ATOM 117 CG ASP A 15 -15.212 0.304 1.837 1.00 0.00 C ATOM 118 OD1 ASP A 15 -14.550 1.019 2.618 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.970 -0.611 2.223 1.00 0.00 O ATOM 0 H ASP A 15 -14.857 1.837 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.587 2.035 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.961 1.120 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.096 -0.392 -0.183 1.00 0.00 H new ATOM 124 N VAL A 16 -12.275 0.055 -1.392 1.00 0.00 N ATOM 125 CA VAL A 16 -11.168 -0.861 -1.654 1.00 0.00 C ATOM 126 C VAL A 16 -9.932 -0.483 -0.838 1.00 0.00 C ATOM 127 O VAL A 16 -9.411 -1.292 -0.073 1.00 0.00 O ATOM 128 CB VAL A 16 -10.804 -0.882 -3.155 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.571 -1.742 -3.407 1.00 0.00 C ATOM 130 CG2 VAL A 16 -11.983 -1.374 -3.983 1.00 0.00 C ATOM 0 H VAL A 16 -12.723 0.425 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.499 -1.856 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.569 0.137 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.337 -1.739 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.726 -1.339 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.767 -2.764 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.709 -1.382 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.252 -2.383 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.834 -0.710 -3.835 1.00 0.00 H new ATOM 140 N SER A 17 -9.468 0.751 -1.006 1.00 0.00 N ATOM 141 CA SER A 17 -8.293 1.233 -0.284 1.00 0.00 C ATOM 142 C SER A 17 -8.451 1.054 1.225 1.00 0.00 C ATOM 143 O SER A 17 -7.464 1.028 1.961 1.00 0.00 O ATOM 144 CB SER A 17 -8.044 2.708 -0.607 1.00 0.00 C ATOM 145 OG SER A 17 -6.779 3.128 -0.126 1.00 0.00 O ATOM 0 H SER A 17 -9.887 1.436 -1.635 1.00 0.00 H new ATOM 0 HA SER A 17 -7.438 0.640 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.096 2.861 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.828 3.319 -0.160 1.00 0.00 H new ATOM 0 HG SER A 17 -6.643 4.073 -0.346 1.00 0.00 H new ATOM 151 N SER A 18 -9.694 0.940 1.683 1.00 0.00 N ATOM 152 CA SER A 18 -9.972 0.774 3.105 1.00 0.00 C ATOM 153 C SER A 18 -9.373 -0.522 3.649 1.00 0.00 C ATOM 154 O SER A 18 -8.810 -0.539 4.743 1.00 0.00 O ATOM 155 CB SER A 18 -11.482 0.792 3.355 1.00 0.00 C ATOM 156 OG SER A 18 -11.774 1.176 4.687 1.00 0.00 O ATOM 0 H SER A 18 -10.524 0.960 1.090 1.00 0.00 H new ATOM 0 HA SER A 18 -9.506 1.608 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.960 1.483 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.898 -0.196 3.159 1.00 0.00 H new ATOM 0 HG SER A 18 -12.745 1.181 4.821 1.00 0.00 H new ATOM 162 N TYR A 19 -9.503 -1.608 2.891 1.00 0.00 N ATOM 163 CA TYR A 19 -8.976 -2.899 3.325 1.00 0.00 C ATOM 164 C TYR A 19 -7.453 -2.862 3.441 1.00 0.00 C ATOM 165 O TYR A 19 -6.888 -3.321 4.434 1.00 0.00 O ATOM 166 CB TYR A 19 -9.433 -4.022 2.376 1.00 0.00 C ATOM 167 CG TYR A 19 -8.503 -4.299 1.209 1.00 0.00 C ATOM 168 CD1 TYR A 19 -7.276 -4.923 1.404 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.859 -3.947 -0.086 1.00 0.00 C ATOM 170 CE1 TYR A 19 -6.431 -5.184 0.342 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.020 -4.207 -1.154 1.00 0.00 C ATOM 172 CZ TYR A 19 -6.807 -4.824 -0.934 1.00 0.00 C ATOM 173 OH TYR A 19 -5.969 -5.083 -1.993 1.00 0.00 O ATOM 0 H TYR A 19 -9.964 -1.621 1.981 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.377 -3.111 4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.549 -4.939 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.417 -3.766 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.978 -5.209 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.808 -3.462 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.480 -5.668 0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.313 -3.928 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.384 -4.768 -2.823 1.00 0.00 H new ATOM 183 N LEU A 20 -6.794 -2.315 2.425 1.00 0.00 N ATOM 184 CA LEU A 20 -5.338 -2.224 2.425 1.00 0.00 C ATOM 185 C LEU A 20 -4.866 -1.073 3.307 1.00 0.00 C ATOM 186 O LEU A 20 -4.907 0.090 2.904 1.00 0.00 O ATOM 187 CB LEU A 20 -4.811 -2.040 1.000 1.00 0.00 C ATOM 188 CG LEU A 20 -5.521 -0.960 0.179 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.511 -0.022 -0.464 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.410 -1.595 -0.880 1.00 0.00 C ATOM 0 H LEU A 20 -7.243 -1.929 1.594 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.943 -3.156 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.750 -1.797 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.896 -2.990 0.472 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.149 -0.376 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.037 0.738 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.917 0.460 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.855 -0.590 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.907 -0.813 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.802 -2.205 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.159 -2.223 -0.397 1.00 0.00 H new ATOM 261 N LYS A 26 3.973 1.590 2.391 1.00 0.00 N ATOM 262 CA LYS A 26 4.996 1.854 3.403 1.00 0.00 C ATOM 263 C LYS A 26 6.201 0.930 3.230 1.00 0.00 C ATOM 264 O LYS A 26 7.325 1.289 3.578 1.00 0.00 O ATOM 265 CB LYS A 26 4.402 1.681 4.805 1.00 0.00 C ATOM 266 CG LYS A 26 4.723 2.817 5.773 1.00 0.00 C ATOM 267 CD LYS A 26 4.548 4.198 5.144 1.00 0.00 C ATOM 268 CE LYS A 26 3.226 4.334 4.400 1.00 0.00 C ATOM 269 NZ LYS A 26 3.424 4.743 3.012 1.00 0.00 N ATOM 0 HA LYS A 26 5.337 2.881 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.319 1.589 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.768 0.746 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.077 2.737 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.749 2.710 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.603 4.959 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.371 4.387 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.695 3.383 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.597 5.065 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.575 5.239 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.244 5.379 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.593 3.903 2.423 1.00 0.00 H new ATOM 281 N GLU A 27 5.958 -0.259 2.688 1.00 0.00 N ATOM 282 CA GLU A 27 7.020 -1.236 2.466 1.00 0.00 C ATOM 283 C GLU A 27 8.232 -0.599 1.786 1.00 0.00 C ATOM 284 O GLU A 27 9.360 -1.064 1.949 1.00 0.00 O ATOM 285 CB GLU A 27 6.497 -2.396 1.615 1.00 0.00 C ATOM 286 CG GLU A 27 7.531 -3.480 1.359 1.00 0.00 C ATOM 287 CD GLU A 27 7.266 -4.741 2.158 1.00 0.00 C ATOM 288 OE1 GLU A 27 6.083 -5.031 2.436 1.00 0.00 O ATOM 289 OE2 GLU A 27 8.241 -5.439 2.508 1.00 0.00 O ATOM 0 H GLU A 27 5.032 -0.571 2.393 1.00 0.00 H new ATOM 0 HA GLU A 27 7.337 -1.612 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.634 -2.839 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.149 -2.005 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.541 -3.723 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.521 -3.098 1.608 1.00 0.00 H new ATOM 296 N PHE A 28 7.994 0.464 1.022 1.00 0.00 N ATOM 297 CA PHE A 28 9.072 1.152 0.321 1.00 0.00 C ATOM 298 C PHE A 28 10.038 1.808 1.307 1.00 0.00 C ATOM 299 O PHE A 28 11.254 1.692 1.169 1.00 0.00 O ATOM 300 CB PHE A 28 8.501 2.195 -0.657 1.00 0.00 C ATOM 301 CG PHE A 28 8.283 3.565 -0.063 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.356 4.406 0.193 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.004 4.012 0.233 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.158 5.662 0.733 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.801 5.268 0.773 1.00 0.00 C ATOM 306 CZ PHE A 28 7.879 6.093 1.024 1.00 0.00 C ATOM 0 H PHE A 28 7.068 0.866 0.874 1.00 0.00 H new ATOM 0 HA PHE A 28 9.630 0.411 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.179 2.286 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.551 1.827 -1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.359 4.075 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.157 3.371 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.003 6.306 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.800 5.604 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.722 7.074 1.447 1.00 0.00 H new ATOM 316 N ILE A 29 9.490 2.504 2.296 1.00 0.00 N ATOM 317 CA ILE A 29 10.308 3.186 3.294 1.00 0.00 C ATOM 318 C ILE A 29 11.406 2.276 3.842 1.00 0.00 C ATOM 319 O ILE A 29 12.469 2.748 4.235 1.00 0.00 O ATOM 320 CB ILE A 29 9.448 3.718 4.462 1.00 0.00 C ATOM 321 CG1 ILE A 29 10.245 4.727 5.289 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.953 2.576 5.340 1.00 0.00 C ATOM 323 CD1 ILE A 29 9.395 5.528 6.251 1.00 0.00 C ATOM 0 H ILE A 29 8.484 2.611 2.429 1.00 0.00 H new ATOM 0 HA ILE A 29 10.776 4.030 2.788 1.00 0.00 H new ATOM 0 HB ILE A 29 8.576 4.221 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.014 4.197 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.759 5.412 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.350 2.978 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.348 1.894 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.806 2.037 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.027 6.223 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.643 6.086 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.902 4.852 6.950 1.00 0.00 H new ATOM 335 N ALA A 30 11.143 0.975 3.866 1.00 0.00 N ATOM 336 CA ALA A 30 12.114 0.009 4.370 1.00 0.00 C ATOM 337 C ALA A 30 13.269 -0.193 3.391 1.00 0.00 C ATOM 338 O ALA A 30 14.337 -0.672 3.771 1.00 0.00 O ATOM 339 CB ALA A 30 11.431 -1.319 4.660 1.00 0.00 C ATOM 0 H ALA A 30 10.267 0.564 3.543 1.00 0.00 H new ATOM 0 HA ALA A 30 12.530 0.408 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.165 -2.032 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.653 -1.172 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.985 -1.706 3.744 1.00 0.00 H new ATOM 345 N TRP A 31 13.048 0.165 2.130 1.00 0.00 N ATOM 346 CA TRP A 31 14.071 0.011 1.101 1.00 0.00 C ATOM 347 C TRP A 31 15.043 1.193 1.095 1.00 0.00 C ATOM 348 O TRP A 31 16.254 1.015 1.229 1.00 0.00 O ATOM 349 CB TRP A 31 13.414 -0.137 -0.286 1.00 0.00 C ATOM 350 CG TRP A 31 13.886 0.878 -1.290 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.110 0.923 -1.894 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.154 2.008 -1.784 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.184 2.010 -2.731 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.996 2.691 -2.682 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.869 2.508 -1.558 1.00 0.00 C ATOM 356 CZ2 TRP A 31 13.595 3.847 -3.347 1.00 0.00 C ATOM 357 CZ3 TRP A 31 11.472 3.654 -2.220 1.00 0.00 C ATOM 358 CH2 TRP A 31 12.333 4.312 -3.105 1.00 0.00 C ATOM 0 H TRP A 31 12.170 0.563 1.796 1.00 0.00 H new ATOM 0 HA TRP A 31 14.639 -0.891 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.618 -1.137 -0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.333 -0.052 -0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.904 0.208 -1.737 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.992 2.268 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.197 2.007 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.258 4.358 -4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.481 4.048 -2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.993 5.206 -3.607 1.00 0.00 H new ATOM 369 N LEU A 32 14.505 2.392 0.897 1.00 0.00 N ATOM 370 CA LEU A 32 15.320 3.597 0.823 1.00 0.00 C ATOM 371 C LEU A 32 15.872 4.020 2.187 1.00 0.00 C ATOM 372 O LEU A 32 16.845 4.769 2.259 1.00 0.00 O ATOM 373 CB LEU A 32 14.517 4.733 0.173 1.00 0.00 C ATOM 374 CG LEU A 32 13.868 5.733 1.132 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.088 6.786 0.357 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.965 5.016 2.127 1.00 0.00 C ATOM 0 H LEU A 32 13.504 2.554 0.785 1.00 0.00 H new ATOM 0 HA LEU A 32 16.186 3.370 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.179 5.281 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.734 4.291 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 32 14.658 6.235 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.633 7.489 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.764 7.322 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.308 6.302 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.513 5.745 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.180 4.484 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.554 4.305 2.706 1.00 0.00 H new ATOM 388 N VAL A 33 15.262 3.545 3.266 1.00 0.00 N ATOM 389 CA VAL A 33 15.732 3.901 4.601 1.00 0.00 C ATOM 390 C VAL A 33 17.013 3.148 4.950 1.00 0.00 C ATOM 391 O VAL A 33 17.844 3.638 5.715 1.00 0.00 O ATOM 392 CB VAL A 33 14.669 3.625 5.684 1.00 0.00 C ATOM 393 CG1 VAL A 33 14.470 2.128 5.884 1.00 0.00 C ATOM 394 CG2 VAL A 33 15.058 4.296 6.992 1.00 0.00 C ATOM 0 H VAL A 33 14.454 2.923 3.246 1.00 0.00 H new ATOM 0 HA VAL A 33 15.933 4.972 4.582 1.00 0.00 H new ATOM 0 HB VAL A 33 13.722 4.047 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.716 1.961 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.141 1.676 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.411 1.674 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.298 4.092 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.018 3.906 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.137 5.372 6.839 1.00 0.00 H new ATOM 404 N ARG A 34 17.166 1.955 4.383 1.00 0.00 N ATOM 405 CA ARG A 34 18.345 1.135 4.634 1.00 0.00 C ATOM 406 C ARG A 34 19.475 1.499 3.675 1.00 0.00 C ATOM 407 O ARG A 34 20.002 0.642 2.964 1.00 0.00 O ATOM 408 CB ARG A 34 17.996 -0.349 4.497 1.00 0.00 C ATOM 409 CG ARG A 34 17.426 -0.718 3.136 1.00 0.00 C ATOM 410 CD ARG A 34 17.333 -2.225 2.962 1.00 0.00 C ATOM 411 NE ARG A 34 17.029 -2.600 1.583 1.00 0.00 N ATOM 412 CZ ARG A 34 16.997 -3.857 1.147 1.00 0.00 C ATOM 413 NH1 ARG A 34 17.249 -4.861 1.977 1.00 0.00 N ATOM 414 NH2 ARG A 34 16.711 -4.111 -0.123 1.00 0.00 N ATOM 0 H ARG A 34 16.488 1.535 3.747 1.00 0.00 H new ATOM 0 HA ARG A 34 18.684 1.328 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.892 -0.943 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.274 -0.616 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.436 -0.276 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.055 -0.298 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.275 -2.683 3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.561 -2.619 3.623 1.00 0.00 H new ATOM 0 HE ARG A 34 16.830 -1.855 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.469 -4.671 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.223 -5.822 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.516 -3.343 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.686 -5.074 -0.457 1.00 0.00 H new