USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=5 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= 0.0547 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+ 180:sc= -0.353 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -15.991 -0.375 2.953 1.00 0.00 N ATOM 68 CA PHE A 12 -15.010 0.357 3.746 1.00 0.00 C ATOM 69 C PHE A 12 -13.591 0.042 3.285 1.00 0.00 C ATOM 70 O PHE A 12 -12.749 0.934 3.180 1.00 0.00 O ATOM 71 CB PHE A 12 -15.164 0.014 5.229 1.00 0.00 C ATOM 72 CG PHE A 12 -14.427 0.952 6.142 1.00 0.00 C ATOM 73 CD1 PHE A 12 -14.503 2.323 5.956 1.00 0.00 C ATOM 74 CD2 PHE A 12 -13.659 0.462 7.186 1.00 0.00 C ATOM 75 CE1 PHE A 12 -13.826 3.188 6.794 1.00 0.00 C ATOM 76 CE2 PHE A 12 -12.979 1.323 8.028 1.00 0.00 C ATOM 77 CZ PHE A 12 -13.063 2.688 7.831 1.00 0.00 C ATOM 0 HA PHE A 12 -15.190 1.423 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.223 0.025 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.805 -1.001 5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.098 2.720 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.591 -0.604 7.344 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.893 4.255 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.383 0.929 8.838 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.533 3.363 8.487 1.00 0.00 H new ATOM 87 N THR A 13 -13.332 -1.233 3.013 1.00 0.00 N ATOM 88 CA THR A 13 -12.013 -1.667 2.564 1.00 0.00 C ATOM 89 C THR A 13 -11.843 -1.437 1.066 1.00 0.00 C ATOM 90 O THR A 13 -10.785 -1.003 0.611 1.00 0.00 O ATOM 91 CB THR A 13 -11.802 -3.145 2.892 1.00 0.00 C ATOM 92 OG1 THR A 13 -13.009 -3.870 2.740 1.00 0.00 O ATOM 93 CG2 THR A 13 -11.299 -3.381 4.299 1.00 0.00 C ATOM 0 H THR A 13 -14.017 -1.984 3.095 1.00 0.00 H new ATOM 0 HA THR A 13 -11.265 -1.074 3.090 1.00 0.00 H new ATOM 0 HB THR A 13 -11.043 -3.490 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.853 -4.814 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.171 -4.451 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.342 -2.876 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.021 -2.987 5.014 1.00 0.00 H new ATOM 101 N SER A 14 -12.891 -1.731 0.303 1.00 0.00 N ATOM 102 CA SER A 14 -12.855 -1.557 -1.144 1.00 0.00 C ATOM 103 C SER A 14 -12.591 -0.101 -1.512 1.00 0.00 C ATOM 104 O SER A 14 -11.725 0.194 -2.337 1.00 0.00 O ATOM 105 CB SER A 14 -14.173 -2.021 -1.767 1.00 0.00 C ATOM 106 OG SER A 14 -14.179 -3.424 -1.965 1.00 0.00 O ATOM 0 H SER A 14 -13.775 -2.091 0.663 1.00 0.00 H new ATOM 0 HA SER A 14 -12.040 -2.165 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.004 -1.739 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.326 -1.516 -2.721 1.00 0.00 H new ATOM 0 HG SER A 14 -15.033 -3.695 -2.363 1.00 0.00 H new ATOM 112 N ASP A 15 -13.342 0.806 -0.896 1.00 0.00 N ATOM 113 CA ASP A 15 -13.190 2.232 -1.159 1.00 0.00 C ATOM 114 C ASP A 15 -11.785 2.707 -0.801 1.00 0.00 C ATOM 115 O ASP A 15 -11.112 3.349 -1.608 1.00 0.00 O ATOM 116 CB ASP A 15 -14.227 3.033 -0.369 1.00 0.00 C ATOM 117 CG ASP A 15 -14.320 2.593 1.079 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.508 3.072 1.898 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.205 1.770 1.394 1.00 0.00 O ATOM 0 H ASP A 15 -14.062 0.578 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.349 2.396 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.970 4.092 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.203 2.924 -0.842 1.00 0.00 H new ATOM 124 N VAL A 16 -11.350 2.390 0.414 1.00 0.00 N ATOM 125 CA VAL A 16 -10.026 2.787 0.879 1.00 0.00 C ATOM 126 C VAL A 16 -8.925 2.021 0.147 1.00 0.00 C ATOM 127 O VAL A 16 -7.773 2.450 0.123 1.00 0.00 O ATOM 128 CB VAL A 16 -9.875 2.564 2.397 1.00 0.00 C ATOM 129 CG1 VAL A 16 -10.035 1.092 2.743 1.00 0.00 C ATOM 130 CG2 VAL A 16 -8.534 3.093 2.885 1.00 0.00 C ATOM 0 H VAL A 16 -11.895 1.860 1.094 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.922 3.850 0.663 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.664 3.118 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.925 0.957 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.023 0.751 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.272 0.511 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.446 2.927 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.728 2.571 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.466 4.161 2.677 1.00 0.00 H new ATOM 140 N SER A 17 -9.284 0.887 -0.446 1.00 0.00 N ATOM 141 CA SER A 17 -8.320 0.069 -1.175 1.00 0.00 C ATOM 142 C SER A 17 -8.087 0.613 -2.584 1.00 0.00 C ATOM 143 O SER A 17 -7.082 0.297 -3.221 1.00 0.00 O ATOM 144 CB SER A 17 -8.807 -1.379 -1.252 1.00 0.00 C ATOM 145 OG SER A 17 -7.920 -2.176 -2.018 1.00 0.00 O ATOM 0 H SER A 17 -10.233 0.514 -0.436 1.00 0.00 H new ATOM 0 HA SER A 17 -7.374 0.104 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.894 -1.790 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.802 -1.408 -1.696 1.00 0.00 H new ATOM 0 HG SER A 17 -8.253 -3.097 -2.051 1.00 0.00 H new ATOM 151 N SER A 18 -9.024 1.422 -3.067 1.00 0.00 N ATOM 152 CA SER A 18 -8.926 1.999 -4.404 1.00 0.00 C ATOM 153 C SER A 18 -7.637 2.798 -4.585 1.00 0.00 C ATOM 154 O SER A 18 -6.975 2.691 -5.618 1.00 0.00 O ATOM 155 CB SER A 18 -10.134 2.896 -4.679 1.00 0.00 C ATOM 156 OG SER A 18 -11.215 2.149 -5.210 1.00 0.00 O ATOM 0 H SER A 18 -9.861 1.694 -2.552 1.00 0.00 H new ATOM 0 HA SER A 18 -8.911 1.175 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.445 3.385 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.854 3.684 -5.379 1.00 0.00 H new ATOM 0 HG SER A 18 -11.975 2.745 -5.375 1.00 0.00 H new ATOM 162 N TYR A 19 -7.289 3.610 -3.590 1.00 0.00 N ATOM 163 CA TYR A 19 -6.085 4.432 -3.670 1.00 0.00 C ATOM 164 C TYR A 19 -4.829 3.571 -3.807 1.00 0.00 C ATOM 165 O TYR A 19 -3.944 3.877 -4.605 1.00 0.00 O ATOM 166 CB TYR A 19 -5.985 5.369 -2.453 1.00 0.00 C ATOM 167 CG TYR A 19 -5.239 4.800 -1.262 1.00 0.00 C ATOM 168 CD1 TYR A 19 -3.856 4.660 -1.281 1.00 0.00 C ATOM 169 CD2 TYR A 19 -5.920 4.414 -0.115 1.00 0.00 C ATOM 170 CE1 TYR A 19 -3.175 4.151 -0.192 1.00 0.00 C ATOM 171 CE2 TYR A 19 -5.246 3.903 0.978 1.00 0.00 C ATOM 172 CZ TYR A 19 -3.874 3.773 0.934 1.00 0.00 C ATOM 173 OH TYR A 19 -3.199 3.265 2.021 1.00 0.00 O ATOM 0 H TYR A 19 -7.819 3.716 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.158 5.046 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.493 6.291 -2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.993 5.637 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.305 4.954 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.995 4.515 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.100 4.050 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.791 3.607 1.862 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.839 3.049 2.731 1.00 0.00 H new ATOM 183 N LEU A 20 -4.756 2.497 -3.028 1.00 0.00 N ATOM 184 CA LEU A 20 -3.603 1.603 -3.076 1.00 0.00 C ATOM 185 C LEU A 20 -3.801 0.512 -4.123 1.00 0.00 C ATOM 186 O LEU A 20 -4.929 0.133 -4.434 1.00 0.00 O ATOM 187 CB LEU A 20 -3.355 0.971 -1.704 1.00 0.00 C ATOM 188 CG LEU A 20 -4.550 0.221 -1.111 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.130 -1.158 -0.623 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.171 1.022 0.024 1.00 0.00 C ATOM 0 H LEU A 20 -5.477 2.225 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.732 2.196 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.516 0.280 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.056 1.755 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.298 0.094 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.994 -1.675 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.732 -1.734 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.363 -1.054 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.019 0.474 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.429 1.180 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.510 1.986 -0.354 1.00 0.00 H new ATOM 261 N LYS A 26 4.158 -1.567 -1.336 1.00 0.00 N ATOM 262 CA LYS A 26 4.309 -0.320 -0.583 1.00 0.00 C ATOM 263 C LYS A 26 5.284 -0.477 0.584 1.00 0.00 C ATOM 264 O LYS A 26 5.916 0.491 1.005 1.00 0.00 O ATOM 265 CB LYS A 26 2.948 0.154 -0.069 1.00 0.00 C ATOM 266 CG LYS A 26 2.309 1.224 -0.940 1.00 0.00 C ATOM 267 CD LYS A 26 2.133 0.748 -2.376 1.00 0.00 C ATOM 268 CE LYS A 26 3.076 1.471 -3.326 1.00 0.00 C ATOM 269 NZ LYS A 26 3.707 0.556 -4.274 1.00 0.00 N ATOM 0 HA LYS A 26 4.720 0.427 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.275 -0.701 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.066 0.543 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.339 1.499 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.927 2.122 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.315 -0.325 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.102 0.912 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.524 2.235 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.846 1.985 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.341 1.090 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.256 -0.158 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.974 0.084 -4.842 1.00 0.00 H new ATOM 281 N GLU A 27 5.405 -1.699 1.101 1.00 0.00 N ATOM 282 CA GLU A 27 6.310 -1.975 2.215 1.00 0.00 C ATOM 283 C GLU A 27 7.670 -1.314 1.994 1.00 0.00 C ATOM 284 O GLU A 27 8.350 -0.938 2.949 1.00 0.00 O ATOM 285 CB GLU A 27 6.486 -3.485 2.394 1.00 0.00 C ATOM 286 CG GLU A 27 5.552 -4.086 3.431 1.00 0.00 C ATOM 287 CD GLU A 27 5.762 -3.500 4.813 1.00 0.00 C ATOM 288 OE1 GLU A 27 6.689 -3.955 5.517 1.00 0.00 O ATOM 289 OE2 GLU A 27 5.000 -2.586 5.193 1.00 0.00 O ATOM 0 H GLU A 27 4.888 -2.512 0.767 1.00 0.00 H new ATOM 0 HA GLU A 27 5.868 -1.557 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.318 -3.978 1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.517 -3.691 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.519 -3.921 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.705 -5.165 3.471 1.00 0.00 H new ATOM 296 N PHE A 28 8.055 -1.167 0.728 1.00 0.00 N ATOM 297 CA PHE A 28 9.328 -0.541 0.383 1.00 0.00 C ATOM 298 C PHE A 28 9.404 0.869 0.962 1.00 0.00 C ATOM 299 O PHE A 28 10.461 1.318 1.406 1.00 0.00 O ATOM 300 CB PHE A 28 9.506 -0.501 -1.143 1.00 0.00 C ATOM 301 CG PHE A 28 8.711 0.581 -1.826 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.110 1.907 -1.752 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.563 0.272 -2.537 1.00 0.00 C ATOM 304 CE1 PHE A 28 8.379 2.901 -2.372 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.829 1.262 -3.160 1.00 0.00 C ATOM 306 CZ PHE A 28 7.236 2.578 -3.076 1.00 0.00 C ATOM 0 H PHE A 28 7.504 -1.473 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 28 10.134 -1.136 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.562 -0.360 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.216 -1.467 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.003 2.165 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.238 -0.756 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.701 3.930 -2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.937 1.007 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.661 3.354 -3.560 1.00 0.00 H new ATOM 316 N ILE A 29 8.268 1.561 0.948 1.00 0.00 N ATOM 317 CA ILE A 29 8.184 2.922 1.463 1.00 0.00 C ATOM 318 C ILE A 29 8.709 3.013 2.896 1.00 0.00 C ATOM 319 O ILE A 29 9.130 4.079 3.344 1.00 0.00 O ATOM 320 CB ILE A 29 6.732 3.446 1.412 1.00 0.00 C ATOM 321 CG1 ILE A 29 6.710 4.967 1.569 1.00 0.00 C ATOM 322 CG2 ILE A 29 5.878 2.783 2.485 1.00 0.00 C ATOM 323 CD1 ILE A 29 5.611 5.641 0.777 1.00 0.00 C ATOM 0 H ILE A 29 7.388 1.197 0.583 1.00 0.00 H new ATOM 0 HA ILE A 29 8.810 3.543 0.823 1.00 0.00 H new ATOM 0 HB ILE A 29 6.310 3.191 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.590 5.213 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.673 5.370 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.860 3.168 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.867 1.705 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.295 3.001 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.656 6.718 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.742 5.425 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.642 5.266 1.107 1.00 0.00 H new ATOM 335 N ALA A 30 8.682 1.891 3.608 1.00 0.00 N ATOM 336 CA ALA A 30 9.156 1.849 4.986 1.00 0.00 C ATOM 337 C ALA A 30 10.676 1.715 5.041 1.00 0.00 C ATOM 338 O ALA A 30 11.305 2.090 6.029 1.00 0.00 O ATOM 339 CB ALA A 30 8.496 0.703 5.737 1.00 0.00 C ATOM 0 H ALA A 30 8.337 0.999 3.253 1.00 0.00 H new ATOM 0 HA ALA A 30 8.883 2.789 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.860 0.684 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.415 0.843 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.740 -0.240 5.248 1.00 0.00 H new ATOM 345 N TRP A 31 11.258 1.177 3.974 1.00 0.00 N ATOM 346 CA TRP A 31 12.703 0.992 3.900 1.00 0.00 C ATOM 347 C TRP A 31 13.405 2.307 3.555 1.00 0.00 C ATOM 348 O TRP A 31 14.236 2.799 4.318 1.00 0.00 O ATOM 349 CB TRP A 31 13.034 -0.097 2.865 1.00 0.00 C ATOM 350 CG TRP A 31 14.075 0.299 1.857 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.402 0.515 2.090 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.869 0.531 0.459 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.035 0.867 0.922 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.114 0.883 -0.094 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.753 0.473 -0.381 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.272 1.176 -1.446 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.912 0.763 -1.722 1.00 0.00 C ATOM 358 CH2 TRP A 31 14.164 1.110 -2.243 1.00 0.00 C ATOM 0 H TRP A 31 10.750 0.861 3.148 1.00 0.00 H new ATOM 0 HA TRP A 31 13.068 0.671 4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.376 -0.989 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.120 -0.369 2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.884 0.423 3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.028 1.081 0.826 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.783 0.206 0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.236 1.446 -1.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.056 0.721 -2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 31 14.256 1.330 -3.296 1.00 0.00 H new ATOM 369 N LEU A 32 13.071 2.859 2.393 1.00 0.00 N ATOM 370 CA LEU A 32 13.672 4.107 1.929 1.00 0.00 C ATOM 371 C LEU A 32 13.548 5.222 2.967 1.00 0.00 C ATOM 372 O LEU A 32 14.316 6.183 2.946 1.00 0.00 O ATOM 373 CB LEU A 32 13.030 4.550 0.610 1.00 0.00 C ATOM 374 CG LEU A 32 11.517 4.353 0.520 1.00 0.00 C ATOM 375 CD1 LEU A 32 10.789 5.404 1.342 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.064 4.402 -0.929 1.00 0.00 C ATOM 0 H LEU A 32 12.385 2.461 1.752 1.00 0.00 H new ATOM 0 HA LEU A 32 14.733 3.916 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.252 5.606 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.500 4.001 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 32 11.272 3.372 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.713 5.246 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.093 5.324 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.038 6.396 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.984 4.260 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.323 5.370 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.560 3.611 -1.492 1.00 0.00 H new ATOM 388 N VAL A 33 12.579 5.098 3.870 1.00 0.00 N ATOM 389 CA VAL A 33 12.370 6.109 4.901 1.00 0.00 C ATOM 390 C VAL A 33 13.181 5.804 6.158 1.00 0.00 C ATOM 391 O VAL A 33 13.732 6.708 6.785 1.00 0.00 O ATOM 392 CB VAL A 33 10.879 6.236 5.274 1.00 0.00 C ATOM 393 CG1 VAL A 33 10.359 4.937 5.870 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.663 7.396 6.235 1.00 0.00 C ATOM 0 H VAL A 33 11.930 4.312 3.909 1.00 0.00 H new ATOM 0 HA VAL A 33 12.711 7.056 4.482 1.00 0.00 H new ATOM 0 HB VAL A 33 10.316 6.439 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.305 5.050 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.472 4.132 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.927 4.696 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.605 7.469 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.241 7.228 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.989 8.324 5.765 1.00 0.00 H new ATOM 404 N ARG A 34 13.249 4.528 6.524 1.00 0.00 N ATOM 405 CA ARG A 34 13.993 4.115 7.710 1.00 0.00 C ATOM 406 C ARG A 34 15.486 4.015 7.411 1.00 0.00 C ATOM 407 O ARG A 34 16.316 4.490 8.186 1.00 0.00 O ATOM 408 CB ARG A 34 13.470 2.773 8.228 1.00 0.00 C ATOM 409 CG ARG A 34 13.730 1.610 7.285 1.00 0.00 C ATOM 410 CD ARG A 34 12.819 0.431 7.589 1.00 0.00 C ATOM 411 NE ARG A 34 13.270 -0.325 8.755 1.00 0.00 N ATOM 412 CZ ARG A 34 12.495 -1.162 9.441 1.00 0.00 C ATOM 413 NH1 ARG A 34 11.232 -1.354 9.081 1.00 0.00 N ATOM 414 NH2 ARG A 34 12.985 -1.810 10.489 1.00 0.00 N ATOM 0 H ARG A 34 12.800 3.764 6.019 1.00 0.00 H new ATOM 0 HA ARG A 34 13.847 4.873 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.935 2.559 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.397 2.854 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.576 1.934 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.771 1.298 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.805 0.792 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.779 -0.229 6.722 1.00 0.00 H new ATOM 0 HE ARG A 34 14.235 -0.204 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.851 -0.859 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.643 -1.997 9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.955 -1.667 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.392 -2.451 11.015 1.00 0.00 H new