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= 0.0135 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00526 USER MOD Single : A 17 SER OG : rot -50:sc= 0.84 USER MOD Single : A 18 SER OG : rot -103:sc= 1.09 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 124:sc= 0.00677 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -18.172 -0.447 2.310 1.00 0.00 N ATOM 68 CA PHE A 12 -17.283 0.704 2.420 1.00 0.00 C ATOM 69 C PHE A 12 -15.839 0.258 2.628 1.00 0.00 C ATOM 70 O PHE A 12 -14.962 0.570 1.825 1.00 0.00 O ATOM 71 CB PHE A 12 -17.725 1.607 3.574 1.00 0.00 C ATOM 72 CG PHE A 12 -17.869 3.051 3.186 1.00 0.00 C ATOM 73 CD1 PHE A 12 -18.779 3.433 2.213 1.00 0.00 C ATOM 74 CD2 PHE A 12 -17.093 4.025 3.793 1.00 0.00 C ATOM 75 CE1 PHE A 12 -18.913 4.761 1.853 1.00 0.00 C ATOM 76 CE2 PHE A 12 -17.223 5.355 3.437 1.00 0.00 C ATOM 77 CZ PHE A 12 -18.134 5.723 2.466 1.00 0.00 C ATOM 0 HA PHE A 12 -17.338 1.266 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.678 1.247 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.001 1.528 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -19.390 2.685 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.379 3.743 4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.626 5.046 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.613 6.105 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.237 6.761 2.187 1.00 0.00 H new ATOM 87 N THR A 13 -15.601 -0.474 3.712 1.00 0.00 N ATOM 88 CA THR A 13 -14.263 -0.962 4.027 1.00 0.00 C ATOM 89 C THR A 13 -13.709 -1.814 2.889 1.00 0.00 C ATOM 90 O THR A 13 -12.498 -1.868 2.675 1.00 0.00 O ATOM 91 CB THR A 13 -14.287 -1.776 5.322 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.447 -2.587 5.383 1.00 0.00 O ATOM 93 CG2 THR A 13 -14.260 -0.918 6.568 1.00 0.00 C ATOM 0 H THR A 13 -16.317 -0.742 4.387 1.00 0.00 H new ATOM 0 HA THR A 13 -13.612 -0.098 4.159 1.00 0.00 H new ATOM 0 HB THR A 13 -13.382 -2.383 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.443 -3.101 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.279 -1.557 7.451 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.351 -0.316 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.130 -0.262 6.577 1.00 0.00 H new ATOM 101 N SER A 14 -14.602 -2.480 2.163 1.00 0.00 N ATOM 102 CA SER A 14 -14.199 -3.329 1.049 1.00 0.00 C ATOM 103 C SER A 14 -14.129 -2.532 -0.250 1.00 0.00 C ATOM 104 O SER A 14 -13.333 -2.840 -1.137 1.00 0.00 O ATOM 105 CB SER A 14 -15.176 -4.496 0.892 1.00 0.00 C ATOM 106 OG SER A 14 -16.517 -4.038 0.858 1.00 0.00 O ATOM 0 H SER A 14 -15.608 -2.448 2.327 1.00 0.00 H new ATOM 0 HA SER A 14 -13.205 -3.720 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.951 -5.041 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.048 -5.195 1.718 1.00 0.00 H new ATOM 0 HG SER A 14 -17.121 -4.803 0.755 1.00 0.00 H new ATOM 112 N ASP A 15 -14.968 -1.507 -0.356 1.00 0.00 N ATOM 113 CA ASP A 15 -15.001 -0.666 -1.547 1.00 0.00 C ATOM 114 C ASP A 15 -13.861 0.346 -1.533 1.00 0.00 C ATOM 115 O ASP A 15 -13.282 0.659 -2.574 1.00 0.00 O ATOM 116 CB ASP A 15 -16.343 0.062 -1.647 1.00 0.00 C ATOM 117 CG ASP A 15 -17.441 -0.823 -2.205 1.00 0.00 C ATOM 118 OD1 ASP A 15 -17.506 -0.979 -3.442 1.00 0.00 O ATOM 119 OD2 ASP A 15 -18.235 -1.359 -1.404 1.00 0.00 O ATOM 0 H ASP A 15 -15.634 -1.239 0.368 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.879 -1.310 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.634 0.418 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.230 0.941 -2.282 1.00 0.00 H new ATOM 124 N VAL A 16 -13.544 0.857 -0.348 1.00 0.00 N ATOM 125 CA VAL A 16 -12.474 1.836 -0.200 1.00 0.00 C ATOM 126 C VAL A 16 -11.108 1.199 -0.430 1.00 0.00 C ATOM 127 O VAL A 16 -10.199 1.830 -0.966 1.00 0.00 O ATOM 128 CB VAL A 16 -12.496 2.489 1.195 1.00 0.00 C ATOM 129 CG1 VAL A 16 -13.743 3.343 1.363 1.00 0.00 C ATOM 130 CG2 VAL A 16 -12.411 1.429 2.284 1.00 0.00 C ATOM 0 H VAL A 16 -14.013 0.609 0.523 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.645 2.604 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.625 3.138 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.742 3.797 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.752 4.126 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.629 2.719 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.428 1.910 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.260 0.751 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.484 0.866 2.172 1.00 0.00 H new ATOM 140 N SER A 17 -10.968 -0.058 -0.025 1.00 0.00 N ATOM 141 CA SER A 17 -9.710 -0.778 -0.193 1.00 0.00 C ATOM 142 C SER A 17 -9.270 -0.787 -1.657 1.00 0.00 C ATOM 143 O SER A 17 -8.097 -1.006 -1.959 1.00 0.00 O ATOM 144 CB SER A 17 -9.848 -2.213 0.317 1.00 0.00 C ATOM 145 OG SER A 17 -10.808 -2.934 -0.437 1.00 0.00 O ATOM 0 H SER A 17 -11.708 -0.599 0.421 1.00 0.00 H new ATOM 0 HA SER A 17 -8.948 -0.261 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.883 -2.717 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.140 -2.202 1.367 1.00 0.00 H new ATOM 0 HG SER A 17 -11.633 -2.409 -0.504 1.00 0.00 H new ATOM 151 N SER A 18 -10.218 -0.556 -2.563 1.00 0.00 N ATOM 152 CA SER A 18 -9.925 -0.546 -3.991 1.00 0.00 C ATOM 153 C SER A 18 -9.243 0.753 -4.417 1.00 0.00 C ATOM 154 O SER A 18 -8.279 0.731 -5.182 1.00 0.00 O ATOM 155 CB SER A 18 -11.211 -0.744 -4.795 1.00 0.00 C ATOM 156 OG SER A 18 -12.041 0.402 -4.720 1.00 0.00 O ATOM 0 H SER A 18 -11.195 -0.374 -2.332 1.00 0.00 H new ATOM 0 HA SER A 18 -9.239 -1.369 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.964 -0.951 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.750 -1.613 -4.417 1.00 0.00 H new ATOM 0 HG SER A 18 -12.781 0.230 -4.101 1.00 0.00 H new ATOM 162 N TYR A 19 -9.751 1.885 -3.932 1.00 0.00 N ATOM 163 CA TYR A 19 -9.181 3.182 -4.288 1.00 0.00 C ATOM 164 C TYR A 19 -7.707 3.261 -3.892 1.00 0.00 C ATOM 165 O TYR A 19 -6.929 3.989 -4.508 1.00 0.00 O ATOM 166 CB TYR A 19 -9.986 4.328 -3.647 1.00 0.00 C ATOM 167 CG TYR A 19 -9.508 4.764 -2.274 1.00 0.00 C ATOM 168 CD1 TYR A 19 -8.316 5.462 -2.118 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.256 4.488 -1.136 1.00 0.00 C ATOM 170 CE1 TYR A 19 -7.883 5.869 -0.871 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.829 4.890 0.115 1.00 0.00 C ATOM 172 CZ TYR A 19 -8.642 5.580 0.242 1.00 0.00 C ATOM 173 OH TYR A 19 -8.215 5.983 1.487 1.00 0.00 O ATOM 0 H TYR A 19 -10.548 1.930 -3.298 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.242 3.291 -5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.957 5.189 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.029 4.020 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.718 5.690 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.188 3.950 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.954 6.411 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.422 4.665 0.989 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.866 5.701 2.163 1.00 0.00 H new ATOM 183 N LEU A 20 -7.330 2.506 -2.865 1.00 0.00 N ATOM 184 CA LEU A 20 -5.950 2.494 -2.394 1.00 0.00 C ATOM 185 C LEU A 20 -5.061 1.694 -3.339 1.00 0.00 C ATOM 186 O LEU A 20 -5.551 0.926 -4.168 1.00 0.00 O ATOM 187 CB LEU A 20 -5.874 1.908 -0.983 1.00 0.00 C ATOM 188 CG LEU A 20 -6.260 2.873 0.140 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.693 2.630 0.584 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.304 2.732 1.317 1.00 0.00 C ATOM 0 H LEU A 20 -7.960 1.896 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.591 3.523 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.526 1.036 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.858 1.557 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.187 3.891 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.949 3.326 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.366 2.783 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.793 1.607 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.594 3.426 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.344 1.712 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.289 2.958 0.990 1.00 0.00 H new ATOM 261 N LYS A 26 5.334 1.312 0.252 1.00 0.00 N ATOM 262 CA LYS A 26 6.346 2.235 -0.252 1.00 0.00 C ATOM 263 C LYS A 26 7.171 2.842 0.884 1.00 0.00 C ATOM 264 O LYS A 26 8.263 3.361 0.656 1.00 0.00 O ATOM 265 CB LYS A 26 5.684 3.348 -1.069 1.00 0.00 C ATOM 266 CG LYS A 26 5.650 3.066 -2.563 1.00 0.00 C ATOM 267 CD LYS A 26 4.574 2.051 -2.918 1.00 0.00 C ATOM 268 CE LYS A 26 5.133 0.916 -3.762 1.00 0.00 C ATOM 269 NZ LYS A 26 5.863 -0.056 -2.954 1.00 0.00 N ATOM 0 HA LYS A 26 7.022 1.668 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.665 3.493 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.218 4.282 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.468 3.994 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.622 2.694 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.139 1.646 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.770 2.547 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.317 0.415 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.796 1.324 -4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.458 -1.003 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.864 -0.061 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.788 0.202 -1.949 1.00 0.00 H new ATOM 281 N GLU A 27 6.639 2.794 2.101 1.00 0.00 N ATOM 282 CA GLU A 27 7.327 3.361 3.259 1.00 0.00 C ATOM 283 C GLU A 27 8.551 2.537 3.662 1.00 0.00 C ATOM 284 O GLU A 27 9.550 3.087 4.126 1.00 0.00 O ATOM 285 CB GLU A 27 6.363 3.473 4.445 1.00 0.00 C ATOM 286 CG GLU A 27 6.103 2.156 5.162 1.00 0.00 C ATOM 287 CD GLU A 27 4.679 2.037 5.668 1.00 0.00 C ATOM 288 OE1 GLU A 27 3.970 3.065 5.696 1.00 0.00 O ATOM 289 OE2 GLU A 27 4.272 0.915 6.037 1.00 0.00 O ATOM 0 H GLU A 27 5.736 2.370 2.312 1.00 0.00 H new ATOM 0 HA GLU A 27 7.675 4.354 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.766 4.190 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.414 3.875 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.313 1.330 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.792 2.062 6.002 1.00 0.00 H new ATOM 296 N PHE A 28 8.464 1.221 3.503 1.00 0.00 N ATOM 297 CA PHE A 28 9.564 0.337 3.876 1.00 0.00 C ATOM 298 C PHE A 28 10.813 0.600 3.031 1.00 0.00 C ATOM 299 O PHE A 28 11.935 0.525 3.532 1.00 0.00 O ATOM 300 CB PHE A 28 9.123 -1.131 3.773 1.00 0.00 C ATOM 301 CG PHE A 28 9.432 -1.791 2.456 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.724 -2.181 2.147 1.00 0.00 C ATOM 303 CD2 PHE A 28 8.430 -2.022 1.531 1.00 0.00 C ATOM 304 CE1 PHE A 28 11.011 -2.789 0.940 1.00 0.00 C ATOM 305 CE2 PHE A 28 8.711 -2.629 0.324 1.00 0.00 C ATOM 306 CZ PHE A 28 10.003 -3.012 0.027 1.00 0.00 C ATOM 0 H PHE A 28 7.648 0.744 3.120 1.00 0.00 H new ATOM 0 HA PHE A 28 9.830 0.548 4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.605 -1.698 4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.049 -1.186 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.518 -2.008 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.417 -1.724 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.023 -3.089 0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.919 -2.804 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.224 -3.485 -0.918 1.00 0.00 H new ATOM 316 N ILE A 29 10.616 0.912 1.752 1.00 0.00 N ATOM 317 CA ILE A 29 11.735 1.187 0.852 1.00 0.00 C ATOM 318 C ILE A 29 12.611 2.320 1.386 1.00 0.00 C ATOM 319 O ILE A 29 13.764 2.468 0.986 1.00 0.00 O ATOM 320 CB ILE A 29 11.251 1.532 -0.573 1.00 0.00 C ATOM 321 CG1 ILE A 29 12.418 1.456 -1.559 1.00 0.00 C ATOM 322 CG2 ILE A 29 10.604 2.911 -0.611 1.00 0.00 C ATOM 323 CD1 ILE A 29 12.006 1.663 -3.001 1.00 0.00 C ATOM 0 H ILE A 29 9.696 0.981 1.316 1.00 0.00 H new ATOM 0 HA ILE A 29 12.329 0.275 0.803 1.00 0.00 H new ATOM 0 HB ILE A 29 10.497 0.801 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.160 2.208 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.901 0.483 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.272 3.129 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.747 2.930 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 29 11.329 3.662 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.884 1.596 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.287 0.896 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.550 2.647 -3.111 1.00 0.00 H new ATOM 335 N ALA A 30 12.063 3.119 2.291 1.00 0.00 N ATOM 336 CA ALA A 30 12.810 4.221 2.877 1.00 0.00 C ATOM 337 C ALA A 30 13.839 3.701 3.881 1.00 0.00 C ATOM 338 O ALA A 30 14.790 4.400 4.229 1.00 0.00 O ATOM 339 CB ALA A 30 11.864 5.206 3.548 1.00 0.00 C ATOM 0 H ALA A 30 11.107 3.025 2.634 1.00 0.00 H new ATOM 0 HA ALA A 30 13.341 4.739 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.439 6.025 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.168 5.603 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.307 4.697 4.335 1.00 0.00 H new ATOM 345 N TRP A 31 13.631 2.471 4.353 1.00 0.00 N ATOM 346 CA TRP A 31 14.526 1.857 5.328 1.00 0.00 C ATOM 347 C TRP A 31 15.776 1.267 4.663 1.00 0.00 C ATOM 348 O TRP A 31 16.896 1.670 4.976 1.00 0.00 O ATOM 349 CB TRP A 31 13.758 0.792 6.139 1.00 0.00 C ATOM 350 CG TRP A 31 14.364 -0.585 6.131 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.610 -0.939 6.566 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.741 -1.793 5.675 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.802 -2.289 6.401 1.00 0.00 N ATOM 354 CE2 TRP A 31 14.669 -2.836 5.857 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.489 -2.095 5.128 1.00 0.00 C ATOM 356 CZ2 TRP A 31 14.383 -4.156 5.512 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.209 -3.405 4.787 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.151 -4.421 4.981 1.00 0.00 C ATOM 0 H TRP A 31 12.847 1.881 4.073 1.00 0.00 H new ATOM 0 HA TRP A 31 14.877 2.631 6.010 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.682 1.131 7.172 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.742 0.726 5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.338 -0.257 6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 31 16.650 -2.801 6.644 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.754 -1.318 4.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 15.109 -4.942 5.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.246 -3.649 4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.900 -5.435 4.706 1.00 0.00 H new ATOM 369 N LEU A 32 15.589 0.305 3.759 1.00 0.00 N ATOM 370 CA LEU A 32 16.724 -0.327 3.087 1.00 0.00 C ATOM 371 C LEU A 32 17.518 0.681 2.255 1.00 0.00 C ATOM 372 O LEU A 32 18.678 0.441 1.924 1.00 0.00 O ATOM 373 CB LEU A 32 16.288 -1.520 2.215 1.00 0.00 C ATOM 374 CG LEU A 32 15.027 -1.343 1.367 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.798 -1.770 2.151 1.00 0.00 C ATOM 376 CD2 LEU A 32 14.890 0.086 0.879 1.00 0.00 C ATOM 0 H LEU A 32 14.675 -0.050 3.478 1.00 0.00 H new ATOM 0 HA LEU A 32 17.376 -0.710 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.112 -1.769 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 16.137 -2.379 2.869 1.00 0.00 H new ATOM 0 HG LEU A 32 15.115 -1.983 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.909 -1.638 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.892 -2.819 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.710 -1.160 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.985 0.180 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.830 0.759 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.756 0.348 0.272 1.00 0.00 H new ATOM 388 N VAL A 33 16.898 1.810 1.926 1.00 0.00 N ATOM 389 CA VAL A 33 17.568 2.842 1.144 1.00 0.00 C ATOM 390 C VAL A 33 18.360 3.784 2.051 1.00 0.00 C ATOM 391 O VAL A 33 19.283 4.462 1.601 1.00 0.00 O ATOM 392 CB VAL A 33 16.561 3.657 0.299 1.00 0.00 C ATOM 393 CG1 VAL A 33 17.190 4.946 -0.216 1.00 0.00 C ATOM 394 CG2 VAL A 33 16.042 2.820 -0.860 1.00 0.00 C ATOM 0 H VAL A 33 15.937 2.032 2.187 1.00 0.00 H new ATOM 0 HA VAL A 33 18.256 2.337 0.467 1.00 0.00 H new ATOM 0 HB VAL A 33 15.722 3.926 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.458 5.497 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.510 5.557 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.052 4.707 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.334 3.408 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.876 2.520 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.543 1.932 -0.473 1.00 0.00 H new ATOM 404 N ARG A 34 17.995 3.820 3.330 1.00 0.00 N ATOM 405 CA ARG A 34 18.674 4.677 4.294 1.00 0.00 C ATOM 406 C ARG A 34 19.547 3.854 5.236 1.00 0.00 C ATOM 407 O ARG A 34 19.129 3.505 6.340 1.00 0.00 O ATOM 408 CB ARG A 34 17.652 5.484 5.098 1.00 0.00 C ATOM 409 CG ARG A 34 18.067 6.926 5.335 1.00 0.00 C ATOM 410 CD ARG A 34 17.285 7.557 6.478 1.00 0.00 C ATOM 411 NE ARG A 34 15.863 7.222 6.424 1.00 0.00 N ATOM 412 CZ ARG A 34 15.310 6.200 7.077 1.00 0.00 C ATOM 413 NH1 ARG A 34 16.054 5.398 7.831 1.00 0.00 N ATOM 414 NH2 ARG A 34 14.007 5.977 6.973 1.00 0.00 N ATOM 0 H ARG A 34 17.233 3.266 3.721 1.00 0.00 H new ATOM 0 HA ARG A 34 19.316 5.364 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.697 5.471 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.493 4.997 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.133 6.966 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.910 7.504 4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.700 7.222 7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.403 8.640 6.443 1.00 0.00 H new ATOM 0 HE ARG A 34 15.256 7.807 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.057 5.562 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.622 4.618 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.430 6.587 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.582 5.195 7.472 1.00 0.00 H new