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 Set 1.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 180:sc=0.000275 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+ -158:sc= 0 (180deg=-0.638) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -18.873 -0.175 0.937 1.00 0.00 N ATOM 68 CA PHE A 12 -17.631 -0.403 1.668 1.00 0.00 C ATOM 69 C PHE A 12 -16.603 -1.109 0.789 1.00 0.00 C ATOM 70 O PHE A 12 -15.435 -0.725 0.754 1.00 0.00 O ATOM 71 CB PHE A 12 -17.900 -1.231 2.926 1.00 0.00 C ATOM 72 CG PHE A 12 -17.128 -0.766 4.128 1.00 0.00 C ATOM 73 CD1 PHE A 12 -15.813 -1.160 4.318 1.00 0.00 C ATOM 74 CD2 PHE A 12 -17.718 0.064 5.068 1.00 0.00 C ATOM 75 CE1 PHE A 12 -15.101 -0.734 5.423 1.00 0.00 C ATOM 76 CE2 PHE A 12 -17.011 0.493 6.175 1.00 0.00 C ATOM 77 CZ PHE A 12 -15.700 0.093 6.353 1.00 0.00 C ATOM 0 HA PHE A 12 -17.227 0.566 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.966 -1.196 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.651 -2.273 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.339 -1.807 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.742 0.379 4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.077 -1.048 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.482 1.140 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.145 0.426 7.218 1.00 0.00 H new ATOM 87 N THR A 13 -17.046 -2.145 0.081 1.00 0.00 N ATOM 88 CA THR A 13 -16.165 -2.909 -0.798 1.00 0.00 C ATOM 89 C THR A 13 -15.363 -1.986 -1.713 1.00 0.00 C ATOM 90 O THR A 13 -14.250 -2.316 -2.123 1.00 0.00 O ATOM 91 CB THR A 13 -16.978 -3.895 -1.638 1.00 0.00 C ATOM 92 OG1 THR A 13 -17.703 -3.216 -2.647 1.00 0.00 O ATOM 93 CG2 THR A 13 -17.969 -4.699 -0.823 1.00 0.00 C ATOM 0 H THR A 13 -18.011 -2.475 0.099 1.00 0.00 H new ATOM 0 HA THR A 13 -15.466 -3.463 -0.171 1.00 0.00 H new ATOM 0 HB THR A 13 -16.247 -4.578 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.215 -3.864 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.513 -5.379 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.436 -5.274 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.673 -4.024 -0.337 1.00 0.00 H new ATOM 101 N SER A 14 -15.935 -0.828 -2.028 1.00 0.00 N ATOM 102 CA SER A 14 -15.272 0.142 -2.892 1.00 0.00 C ATOM 103 C SER A 14 -14.310 1.013 -2.091 1.00 0.00 C ATOM 104 O SER A 14 -13.192 1.286 -2.529 1.00 0.00 O ATOM 105 CB SER A 14 -16.306 1.023 -3.596 1.00 0.00 C ATOM 106 OG SER A 14 -17.510 0.312 -3.826 1.00 0.00 O ATOM 0 H SER A 14 -16.856 -0.539 -1.698 1.00 0.00 H new ATOM 0 HA SER A 14 -14.702 -0.407 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.511 1.905 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.902 1.376 -4.545 1.00 0.00 H new ATOM 0 HG SER A 14 -18.155 0.897 -4.275 1.00 0.00 H new ATOM 112 N ASP A 15 -14.753 1.448 -0.916 1.00 0.00 N ATOM 113 CA ASP A 15 -13.932 2.289 -0.053 1.00 0.00 C ATOM 114 C ASP A 15 -12.689 1.540 0.414 1.00 0.00 C ATOM 115 O ASP A 15 -11.635 2.138 0.629 1.00 0.00 O ATOM 116 CB ASP A 15 -14.743 2.759 1.156 1.00 0.00 C ATOM 117 CG ASP A 15 -14.351 4.152 1.610 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.227 4.588 1.284 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.167 4.806 2.292 1.00 0.00 O ATOM 0 H ASP A 15 -15.676 1.232 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.615 3.158 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.804 2.747 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.602 2.059 1.979 1.00 0.00 H new ATOM 124 N VAL A 16 -12.820 0.227 0.569 1.00 0.00 N ATOM 125 CA VAL A 16 -11.707 -0.605 1.009 1.00 0.00 C ATOM 126 C VAL A 16 -10.555 -0.550 0.012 1.00 0.00 C ATOM 127 O VAL A 16 -9.460 -0.094 0.339 1.00 0.00 O ATOM 128 CB VAL A 16 -12.140 -2.070 1.196 1.00 0.00 C ATOM 129 CG1 VAL A 16 -11.015 -2.883 1.819 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.403 -2.152 2.044 1.00 0.00 C ATOM 0 H VAL A 16 -13.686 -0.284 0.396 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.374 -0.208 1.968 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.363 -2.492 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.339 -3.916 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.141 -2.853 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.758 -2.463 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.693 -3.196 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.213 -1.713 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.208 -1.606 1.552 1.00 0.00 H new ATOM 140 N SER A 17 -10.810 -1.013 -1.208 1.00 0.00 N ATOM 141 CA SER A 17 -9.792 -1.013 -2.256 1.00 0.00 C ATOM 142 C SER A 17 -9.125 0.355 -2.371 1.00 0.00 C ATOM 143 O SER A 17 -7.976 0.463 -2.799 1.00 0.00 O ATOM 144 CB SER A 17 -10.414 -1.403 -3.598 1.00 0.00 C ATOM 145 OG SER A 17 -10.395 -2.808 -3.782 1.00 0.00 O ATOM 0 H SER A 17 -11.712 -1.393 -1.496 1.00 0.00 H new ATOM 0 HA SER A 17 -9.031 -1.746 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.441 -1.041 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.869 -0.920 -4.409 1.00 0.00 H new ATOM 0 HG SER A 17 -10.800 -3.030 -4.646 1.00 0.00 H new ATOM 151 N SER A 18 -9.856 1.398 -1.988 1.00 0.00 N ATOM 152 CA SER A 18 -9.340 2.759 -2.049 1.00 0.00 C ATOM 153 C SER A 18 -8.070 2.907 -1.215 1.00 0.00 C ATOM 154 O SER A 18 -7.145 3.622 -1.602 1.00 0.00 O ATOM 155 CB SER A 18 -10.400 3.750 -1.564 1.00 0.00 C ATOM 156 OG SER A 18 -10.297 4.984 -2.252 1.00 0.00 O ATOM 0 H SER A 18 -10.809 1.325 -1.632 1.00 0.00 H new ATOM 0 HA SER A 18 -9.093 2.977 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.393 3.328 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.284 3.916 -0.493 1.00 0.00 H new ATOM 0 HG SER A 18 -10.986 5.599 -1.925 1.00 0.00 H new ATOM 162 N TYR A 19 -8.028 2.233 -0.068 1.00 0.00 N ATOM 163 CA TYR A 19 -6.864 2.304 0.808 1.00 0.00 C ATOM 164 C TYR A 19 -5.744 1.390 0.309 1.00 0.00 C ATOM 165 O TYR A 19 -4.573 1.601 0.623 1.00 0.00 O ATOM 166 CB TYR A 19 -7.254 1.960 2.257 1.00 0.00 C ATOM 167 CG TYR A 19 -7.149 0.492 2.621 1.00 0.00 C ATOM 168 CD1 TYR A 19 -5.912 -0.112 2.817 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.290 -0.285 2.782 1.00 0.00 C ATOM 170 CE1 TYR A 19 -5.816 -1.449 3.158 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.201 -1.621 3.125 1.00 0.00 C ATOM 172 CZ TYR A 19 -6.963 -2.198 3.311 1.00 0.00 C ATOM 173 OH TYR A 19 -6.872 -3.528 3.652 1.00 0.00 O ATOM 0 H TYR A 19 -8.781 1.636 0.274 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.489 3.327 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.619 2.532 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.279 2.288 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.011 0.473 2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.262 0.162 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.847 -1.904 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.098 -2.210 3.247 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.772 -3.910 3.721 1.00 0.00 H new ATOM 183 N LEU A 20 -6.111 0.378 -0.475 1.00 0.00 N ATOM 184 CA LEU A 20 -5.134 -0.559 -1.019 1.00 0.00 C ATOM 185 C LEU A 20 -4.535 -0.025 -2.318 1.00 0.00 C ATOM 186 O LEU A 20 -4.600 -0.680 -3.359 1.00 0.00 O ATOM 187 CB LEU A 20 -5.784 -1.922 -1.269 1.00 0.00 C ATOM 188 CG LEU A 20 -6.105 -2.732 -0.011 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.579 -2.608 0.341 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.724 -4.193 -0.205 1.00 0.00 C ATOM 0 H LEU A 20 -7.076 0.187 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.334 -0.675 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.707 -1.769 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.121 -2.512 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.519 -2.330 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.789 -3.190 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.823 -1.561 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.183 -2.983 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.959 -4.754 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.283 -4.607 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.656 -4.266 -0.410 1.00 0.00 H new ATOM 261 N LYS A 26 5.047 0.688 -0.958 1.00 0.00 N ATOM 262 CA LYS A 26 5.936 1.845 -0.889 1.00 0.00 C ATOM 263 C LYS A 26 6.724 1.869 0.420 1.00 0.00 C ATOM 264 O LYS A 26 7.759 2.528 0.516 1.00 0.00 O ATOM 265 CB LYS A 26 5.130 3.139 -1.039 1.00 0.00 C ATOM 266 CG LYS A 26 5.941 4.324 -1.551 1.00 0.00 C ATOM 267 CD LYS A 26 6.801 3.962 -2.756 1.00 0.00 C ATOM 268 CE LYS A 26 5.976 3.372 -3.891 1.00 0.00 C ATOM 269 NZ LYS A 26 6.726 2.372 -4.647 1.00 0.00 N ATOM 0 HA LYS A 26 6.650 1.766 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.299 2.959 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.698 3.399 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.264 5.134 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.580 4.696 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.321 4.852 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.565 3.246 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.072 2.917 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.658 4.170 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.308 2.267 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.717 2.676 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.688 1.460 -4.149 1.00 0.00 H new ATOM 281 N GLU A 27 6.231 1.150 1.426 1.00 0.00 N ATOM 282 CA GLU A 27 6.893 1.094 2.728 1.00 0.00 C ATOM 283 C GLU A 27 8.387 0.813 2.582 1.00 0.00 C ATOM 284 O GLU A 27 9.216 1.432 3.248 1.00 0.00 O ATOM 285 CB GLU A 27 6.251 0.013 3.600 1.00 0.00 C ATOM 286 CG GLU A 27 6.508 -1.402 3.109 1.00 0.00 C ATOM 287 CD GLU A 27 5.554 -2.412 3.715 1.00 0.00 C ATOM 288 OE1 GLU A 27 4.959 -2.107 4.771 1.00 0.00 O ATOM 289 OE2 GLU A 27 5.401 -3.507 3.135 1.00 0.00 O ATOM 0 H GLU A 27 5.375 0.598 1.365 1.00 0.00 H new ATOM 0 HA GLU A 27 6.772 2.067 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.628 0.109 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.175 0.184 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.417 -1.428 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.533 -1.686 3.350 1.00 0.00 H new ATOM 296 N PHE A 28 8.716 -0.131 1.707 1.00 0.00 N ATOM 297 CA PHE A 28 10.103 -0.515 1.464 1.00 0.00 C ATOM 298 C PHE A 28 11.002 0.709 1.296 1.00 0.00 C ATOM 299 O PHE A 28 12.118 0.749 1.813 1.00 0.00 O ATOM 300 CB PHE A 28 10.179 -1.404 0.218 1.00 0.00 C ATOM 301 CG PHE A 28 10.324 -0.638 -1.071 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.213 -0.112 -1.704 1.00 0.00 C ATOM 303 CD2 PHE A 28 11.571 -0.445 -1.646 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.338 0.593 -2.885 1.00 0.00 C ATOM 305 CE2 PHE A 28 11.703 0.259 -2.828 1.00 0.00 C ATOM 306 CZ PHE A 28 10.585 0.778 -3.449 1.00 0.00 C ATOM 0 H PHE A 28 8.036 -0.648 1.150 1.00 0.00 H new ATOM 0 HA PHE A 28 10.461 -1.070 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.023 -2.086 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.279 -2.017 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.235 -0.254 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.449 -0.849 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.461 0.999 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.680 0.403 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.685 1.327 -4.373 1.00 0.00 H new ATOM 316 N ILE A 29 10.508 1.699 0.560 1.00 0.00 N ATOM 317 CA ILE A 29 11.261 2.922 0.305 1.00 0.00 C ATOM 318 C ILE A 29 11.838 3.515 1.591 1.00 0.00 C ATOM 319 O ILE A 29 12.847 4.220 1.560 1.00 0.00 O ATOM 320 CB ILE A 29 10.384 3.978 -0.405 1.00 0.00 C ATOM 321 CG1 ILE A 29 11.268 4.994 -1.128 1.00 0.00 C ATOM 322 CG2 ILE A 29 9.458 4.675 0.583 1.00 0.00 C ATOM 323 CD1 ILE A 29 10.490 5.986 -1.963 1.00 0.00 C ATOM 0 H ILE A 29 9.584 1.678 0.128 1.00 0.00 H new ATOM 0 HA ILE A 29 12.090 2.649 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 29 9.761 3.469 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.860 5.537 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 29 11.969 4.461 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.853 5.413 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.806 3.938 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.052 5.173 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.182 6.676 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.918 5.453 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.808 6.545 -1.322 1.00 0.00 H new ATOM 335 N ALA A 30 11.193 3.230 2.716 1.00 0.00 N ATOM 336 CA ALA A 30 11.645 3.741 4.005 1.00 0.00 C ATOM 337 C ALA A 30 12.799 2.912 4.566 1.00 0.00 C ATOM 338 O ALA A 30 13.541 3.375 5.432 1.00 0.00 O ATOM 339 CB ALA A 30 10.488 3.772 4.992 1.00 0.00 C ATOM 0 H ALA A 30 10.356 2.649 2.762 1.00 0.00 H new ATOM 0 HA ALA A 30 12.012 4.756 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.838 4.155 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.700 4.419 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.096 2.764 5.125 1.00 0.00 H new ATOM 345 N TRP A 31 12.944 1.684 4.075 1.00 0.00 N ATOM 346 CA TRP A 31 14.006 0.796 4.538 1.00 0.00 C ATOM 347 C TRP A 31 15.340 1.138 3.871 1.00 0.00 C ATOM 348 O TRP A 31 16.351 1.325 4.547 1.00 0.00 O ATOM 349 CB TRP A 31 13.619 -0.670 4.275 1.00 0.00 C ATOM 350 CG TRP A 31 14.646 -1.459 3.512 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.901 -1.797 3.931 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.501 -2.009 2.197 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.545 -2.522 2.957 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.706 -2.666 1.883 1.00 0.00 C ATOM 355 CE3 TRP A 31 13.468 -2.011 1.256 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.904 -3.316 0.667 1.00 0.00 C ATOM 357 CZ3 TRP A 31 13.667 -2.656 0.050 1.00 0.00 C ATOM 358 CH2 TRP A 31 14.876 -3.301 -0.235 1.00 0.00 C ATOM 0 H TRP A 31 12.340 1.282 3.358 1.00 0.00 H new ATOM 0 HA TRP A 31 14.131 0.936 5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.438 -1.162 5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.679 -0.691 3.723 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.326 -1.533 4.888 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.493 -2.893 3.023 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.531 -1.517 1.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.836 -3.814 0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.876 -2.662 -0.685 1.00 0.00 H new ATOM 0 HH2 TRP A 31 15.000 -3.797 -1.186 1.00 0.00 H new ATOM 369 N LEU A 32 15.335 1.211 2.544 1.00 0.00 N ATOM 370 CA LEU A 32 16.547 1.521 1.791 1.00 0.00 C ATOM 371 C LEU A 32 17.151 2.847 2.242 1.00 0.00 C ATOM 372 O LEU A 32 18.279 2.891 2.734 1.00 0.00 O ATOM 373 CB LEU A 32 16.250 1.571 0.291 1.00 0.00 C ATOM 374 CG LEU A 32 15.282 0.499 -0.217 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.977 1.129 -0.681 1.00 0.00 C ATOM 376 CD2 LEU A 32 15.918 -0.306 -1.342 1.00 0.00 C ATOM 0 H LEU A 32 14.507 1.060 1.968 1.00 0.00 H new ATOM 0 HA LEU A 32 17.269 0.728 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.840 2.552 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.190 1.476 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 32 15.059 -0.179 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.304 0.350 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.512 1.657 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.179 1.832 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.215 -1.063 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.172 0.360 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.822 -0.792 -0.976 1.00 0.00 H new ATOM 388 N VAL A 33 16.394 3.926 2.070 1.00 0.00 N ATOM 389 CA VAL A 33 16.856 5.254 2.458 1.00 0.00 C ATOM 390 C VAL A 33 17.283 5.286 3.924 1.00 0.00 C ATOM 391 O VAL A 33 18.113 6.105 4.319 1.00 0.00 O ATOM 392 CB VAL A 33 15.765 6.317 2.224 1.00 0.00 C ATOM 393 CG1 VAL A 33 16.297 7.711 2.525 1.00 0.00 C ATOM 394 CG2 VAL A 33 15.242 6.237 0.797 1.00 0.00 C ATOM 0 H VAL A 33 15.458 3.907 1.665 1.00 0.00 H new ATOM 0 HA VAL A 33 17.717 5.485 1.831 1.00 0.00 H new ATOM 0 HB VAL A 33 14.938 6.116 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.510 8.446 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.619 7.761 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.143 7.926 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.472 6.994 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.061 6.410 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.818 5.249 0.620 1.00 0.00 H new ATOM 404 N ARG A 34 16.714 4.389 4.725 1.00 0.00 N ATOM 405 CA ARG A 34 17.042 4.318 6.144 1.00 0.00 C ATOM 406 C ARG A 34 18.488 3.875 6.345 1.00 0.00 C ATOM 407 O ARG A 34 19.288 4.587 6.952 1.00 0.00 O ATOM 408 CB ARG A 34 16.093 3.354 6.863 1.00 0.00 C ATOM 409 CG ARG A 34 15.052 4.053 7.722 1.00 0.00 C ATOM 410 CD ARG A 34 15.432 4.024 9.194 1.00 0.00 C ATOM 411 NE ARG A 34 14.933 5.194 9.914 1.00 0.00 N ATOM 412 CZ ARG A 34 15.511 6.393 9.875 1.00 0.00 C ATOM 413 NH1 ARG A 34 16.611 6.584 9.157 1.00 0.00 N ATOM 414 NH2 ARG A 34 14.990 7.403 10.557 1.00 0.00 N ATOM 0 H ARG A 34 16.025 3.703 4.416 1.00 0.00 H new ATOM 0 HA ARG A 34 16.924 5.314 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.585 2.737 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 16.678 2.682 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.943 5.087 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.084 3.571 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.033 3.119 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.517 3.977 9.287 1.00 0.00 H new ATOM 0 HE ARG A 34 14.092 5.086 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.018 5.810 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.049 7.505 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.146 7.262 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.433 8.321 10.527 1.00 0.00 H new