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= 0.0108 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.138 USER MOD Single : A 18 SER OG : rot 91:sc= 0.105 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 0.0329 (180deg=-0.437) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -16.877 0.091 0.962 1.00 0.00 N ATOM 68 CA PHE A 12 -16.027 0.729 1.960 1.00 0.00 C ATOM 69 C PHE A 12 -14.822 -0.145 2.291 1.00 0.00 C ATOM 70 O PHE A 12 -13.702 0.348 2.423 1.00 0.00 O ATOM 71 CB PHE A 12 -16.826 1.019 3.232 1.00 0.00 C ATOM 72 CG PHE A 12 -16.047 1.776 4.270 1.00 0.00 C ATOM 73 CD1 PHE A 12 -15.354 2.927 3.931 1.00 0.00 C ATOM 74 CD2 PHE A 12 -16.011 1.338 5.584 1.00 0.00 C ATOM 75 CE1 PHE A 12 -14.638 3.626 4.884 1.00 0.00 C ATOM 76 CE2 PHE A 12 -15.296 2.033 6.541 1.00 0.00 C ATOM 77 CZ PHE A 12 -14.609 3.179 6.191 1.00 0.00 C ATOM 0 HA PHE A 12 -15.666 1.669 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.717 1.590 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.166 0.076 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.374 3.282 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.548 0.443 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.101 4.521 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.274 1.680 7.562 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.050 3.724 6.937 1.00 0.00 H new ATOM 87 N THR A 13 -15.059 -1.447 2.426 1.00 0.00 N ATOM 88 CA THR A 13 -13.992 -2.390 2.743 1.00 0.00 C ATOM 89 C THR A 13 -12.878 -2.327 1.703 1.00 0.00 C ATOM 90 O THR A 13 -11.772 -1.869 1.990 1.00 0.00 O ATOM 91 CB THR A 13 -14.549 -3.813 2.824 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.129 -4.195 1.589 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.603 -3.983 3.897 1.00 0.00 C ATOM 0 H THR A 13 -15.980 -1.872 2.321 1.00 0.00 H new ATOM 0 HA THR A 13 -13.574 -2.113 3.711 1.00 0.00 H new ATOM 0 HB THR A 13 -13.695 -4.444 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.478 -5.108 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.956 -5.014 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.174 -3.743 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.440 -3.314 3.694 1.00 0.00 H new ATOM 101 N SER A 14 -13.177 -2.791 0.494 1.00 0.00 N ATOM 102 CA SER A 14 -12.200 -2.788 -0.590 1.00 0.00 C ATOM 103 C SER A 14 -12.155 -1.429 -1.285 1.00 0.00 C ATOM 104 O SER A 14 -11.154 -1.076 -1.909 1.00 0.00 O ATOM 105 CB SER A 14 -12.533 -3.881 -1.606 1.00 0.00 C ATOM 106 OG SER A 14 -12.448 -5.168 -1.018 1.00 0.00 O ATOM 0 H SER A 14 -14.088 -3.174 0.240 1.00 0.00 H new ATOM 0 HA SER A 14 -11.219 -2.986 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.537 -3.723 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.847 -3.818 -2.451 1.00 0.00 H new ATOM 0 HG SER A 14 -12.667 -5.849 -1.688 1.00 0.00 H new ATOM 112 N ASP A 15 -13.243 -0.672 -1.176 1.00 0.00 N ATOM 113 CA ASP A 15 -13.325 0.646 -1.797 1.00 0.00 C ATOM 114 C ASP A 15 -12.165 1.536 -1.355 1.00 0.00 C ATOM 115 O ASP A 15 -11.724 2.411 -2.100 1.00 0.00 O ATOM 116 CB ASP A 15 -14.656 1.314 -1.449 1.00 0.00 C ATOM 117 CG ASP A 15 -15.250 2.068 -2.623 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.736 1.409 -3.566 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.229 3.316 -2.600 1.00 0.00 O ATOM 0 H ASP A 15 -14.080 -0.949 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.262 0.513 -2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.363 0.555 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.507 2.002 -0.617 1.00 0.00 H new ATOM 124 N VAL A 16 -11.677 1.307 -0.140 1.00 0.00 N ATOM 125 CA VAL A 16 -10.571 2.089 0.397 1.00 0.00 C ATOM 126 C VAL A 16 -9.232 1.585 -0.133 1.00 0.00 C ATOM 127 O VAL A 16 -8.546 2.281 -0.880 1.00 0.00 O ATOM 128 CB VAL A 16 -10.549 2.052 1.937 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.473 2.980 2.480 1.00 0.00 C ATOM 130 CG2 VAL A 16 -11.913 2.420 2.500 1.00 0.00 C ATOM 0 H VAL A 16 -12.030 0.587 0.490 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.724 3.117 0.070 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.313 1.036 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.474 2.940 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.499 2.666 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.675 4.001 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.878 2.388 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.182 3.425 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.658 1.711 2.140 1.00 0.00 H new ATOM 140 N SER A 17 -8.865 0.368 0.258 1.00 0.00 N ATOM 141 CA SER A 17 -7.607 -0.231 -0.179 1.00 0.00 C ATOM 142 C SER A 17 -7.438 -0.119 -1.693 1.00 0.00 C ATOM 143 O SER A 17 -6.318 -0.102 -2.203 1.00 0.00 O ATOM 144 CB SER A 17 -7.544 -1.700 0.244 1.00 0.00 C ATOM 145 OG SER A 17 -8.421 -1.957 1.327 1.00 0.00 O ATOM 0 H SER A 17 -9.421 -0.223 0.877 1.00 0.00 H new ATOM 0 HA SER A 17 -6.793 0.316 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.808 -2.336 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.524 -1.956 0.530 1.00 0.00 H new ATOM 0 HG SER A 17 -8.363 -2.903 1.577 1.00 0.00 H new ATOM 151 N SER A 18 -8.558 -0.046 -2.405 1.00 0.00 N ATOM 152 CA SER A 18 -8.535 0.062 -3.858 1.00 0.00 C ATOM 153 C SER A 18 -7.876 1.364 -4.307 1.00 0.00 C ATOM 154 O SER A 18 -7.292 1.431 -5.388 1.00 0.00 O ATOM 155 CB SER A 18 -9.956 -0.021 -4.418 1.00 0.00 C ATOM 156 OG SER A 18 -10.299 -1.357 -4.744 1.00 0.00 O ATOM 0 H SER A 18 -9.493 -0.060 -1.998 1.00 0.00 H new ATOM 0 HA SER A 18 -7.946 -0.770 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.662 0.371 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.037 0.606 -5.306 1.00 0.00 H new ATOM 0 HG SER A 18 -10.720 -1.785 -3.969 1.00 0.00 H new ATOM 162 N TYR A 19 -7.976 2.399 -3.477 1.00 0.00 N ATOM 163 CA TYR A 19 -7.389 3.693 -3.808 1.00 0.00 C ATOM 164 C TYR A 19 -5.949 3.787 -3.308 1.00 0.00 C ATOM 165 O TYR A 19 -5.126 4.493 -3.890 1.00 0.00 O ATOM 166 CB TYR A 19 -8.246 4.838 -3.237 1.00 0.00 C ATOM 167 CG TYR A 19 -7.871 5.286 -1.837 1.00 0.00 C ATOM 168 CD1 TYR A 19 -6.715 6.023 -1.606 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.681 4.982 -0.750 1.00 0.00 C ATOM 170 CE1 TYR A 19 -6.375 6.439 -0.333 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.349 5.397 0.526 1.00 0.00 C ATOM 172 CZ TYR A 19 -7.196 6.124 0.729 1.00 0.00 C ATOM 173 OH TYR A 19 -6.862 6.538 1.998 1.00 0.00 O ATOM 0 H TYR A 19 -8.454 2.367 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.370 3.789 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.174 5.694 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.290 4.523 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.072 6.275 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.585 4.412 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.471 7.008 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.990 5.153 1.360 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.546 6.235 2.631 1.00 0.00 H new ATOM 183 N LEU A 20 -5.650 3.074 -2.226 1.00 0.00 N ATOM 184 CA LEU A 20 -4.308 3.084 -1.655 1.00 0.00 C ATOM 185 C LEU A 20 -3.353 2.234 -2.491 1.00 0.00 C ATOM 186 O LEU A 20 -2.643 2.752 -3.353 1.00 0.00 O ATOM 187 CB LEU A 20 -4.339 2.578 -0.210 1.00 0.00 C ATOM 188 CG LEU A 20 -4.882 3.576 0.816 1.00 0.00 C ATOM 189 CD1 LEU A 20 -6.335 3.269 1.141 1.00 0.00 C ATOM 190 CD2 LEU A 20 -4.035 3.556 2.080 1.00 0.00 C ATOM 0 H LEU A 20 -6.317 2.484 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.945 4.112 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.946 1.674 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.327 2.295 0.081 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.831 4.576 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.704 3.988 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.933 3.336 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.411 2.262 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.436 4.272 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.054 2.557 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.008 3.825 1.834 1.00 0.00 H new ATOM 261 N LYS A 26 3.595 -0.312 1.800 1.00 0.00 N ATOM 262 CA LYS A 26 4.227 0.417 2.893 1.00 0.00 C ATOM 263 C LYS A 26 5.332 -0.415 3.542 1.00 0.00 C ATOM 264 O LYS A 26 6.202 0.120 4.228 1.00 0.00 O ATOM 265 CB LYS A 26 3.178 0.817 3.937 1.00 0.00 C ATOM 266 CG LYS A 26 3.265 2.271 4.396 1.00 0.00 C ATOM 267 CD LYS A 26 3.496 3.246 3.243 1.00 0.00 C ATOM 268 CE LYS A 26 2.536 3.013 2.083 1.00 0.00 C ATOM 269 NZ LYS A 26 3.243 2.855 0.814 1.00 0.00 N ATOM 0 HA LYS A 26 4.681 1.319 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.185 0.638 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.283 0.168 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.344 2.539 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.076 2.371 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.381 4.267 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.522 3.147 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.939 2.122 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.843 3.852 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.607 3.102 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.072 3.482 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.553 1.868 0.710 1.00 0.00 H new ATOM 281 N GLU A 27 5.287 -1.726 3.332 1.00 0.00 N ATOM 282 CA GLU A 27 6.280 -2.627 3.905 1.00 0.00 C ATOM 283 C GLU A 27 7.652 -2.449 3.253 1.00 0.00 C ATOM 284 O GLU A 27 8.672 -2.813 3.838 1.00 0.00 O ATOM 285 CB GLU A 27 5.821 -4.079 3.757 1.00 0.00 C ATOM 286 CG GLU A 27 6.168 -4.953 4.952 1.00 0.00 C ATOM 287 CD GLU A 27 5.064 -5.934 5.296 1.00 0.00 C ATOM 288 OE1 GLU A 27 3.879 -5.573 5.138 1.00 0.00 O ATOM 289 OE2 GLU A 27 5.385 -7.062 5.724 1.00 0.00 O ATOM 0 H GLU A 27 4.573 -2.189 2.769 1.00 0.00 H new ATOM 0 HA GLU A 27 6.377 -2.379 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.742 -4.096 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.275 -4.505 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.085 -5.503 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.368 -4.319 5.816 1.00 0.00 H new ATOM 296 N PHE A 28 7.679 -1.899 2.040 1.00 0.00 N ATOM 297 CA PHE A 28 8.941 -1.697 1.331 1.00 0.00 C ATOM 298 C PHE A 28 9.552 -0.331 1.647 1.00 0.00 C ATOM 299 O PHE A 28 10.768 -0.202 1.770 1.00 0.00 O ATOM 300 CB PHE A 28 8.745 -1.864 -0.187 1.00 0.00 C ATOM 301 CG PHE A 28 8.112 -0.682 -0.875 1.00 0.00 C ATOM 302 CD1 PHE A 28 8.788 0.523 -0.976 1.00 0.00 C ATOM 303 CD2 PHE A 28 6.845 -0.781 -1.426 1.00 0.00 C ATOM 304 CE1 PHE A 28 8.214 1.607 -1.605 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.266 0.302 -2.060 1.00 0.00 C ATOM 306 CZ PHE A 28 6.951 1.498 -2.148 1.00 0.00 C ATOM 0 H PHE A 28 6.851 -1.588 1.532 1.00 0.00 H new ATOM 0 HA PHE A 28 9.638 -2.459 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.715 -2.057 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.127 -2.744 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.779 0.614 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.304 -1.714 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.753 2.541 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.278 0.213 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.499 2.346 -2.641 1.00 0.00 H new ATOM 316 N ILE A 29 8.703 0.688 1.760 1.00 0.00 N ATOM 317 CA ILE A 29 9.164 2.049 2.042 1.00 0.00 C ATOM 318 C ILE A 29 10.200 2.077 3.165 1.00 0.00 C ATOM 319 O ILE A 29 11.055 2.960 3.208 1.00 0.00 O ATOM 320 CB ILE A 29 7.986 2.973 2.416 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.461 4.422 2.530 1.00 0.00 C ATOM 322 CG2 ILE A 29 7.334 2.519 3.715 1.00 0.00 C ATOM 323 CD1 ILE A 29 7.462 5.428 2.002 1.00 0.00 C ATOM 0 H ILE A 29 7.692 0.599 1.661 1.00 0.00 H new ATOM 0 HA ILE A 29 9.631 2.413 1.127 1.00 0.00 H new ATOM 0 HB ILE A 29 7.240 2.914 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.672 4.646 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.399 4.533 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.506 3.185 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.959 1.502 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.069 2.544 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.865 6.434 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.269 5.230 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.531 5.345 2.563 1.00 0.00 H new ATOM 335 N ALA A 30 10.118 1.109 4.071 1.00 0.00 N ATOM 336 CA ALA A 30 11.050 1.034 5.189 1.00 0.00 C ATOM 337 C ALA A 30 12.459 0.683 4.719 1.00 0.00 C ATOM 338 O ALA A 30 13.443 1.027 5.374 1.00 0.00 O ATOM 339 CB ALA A 30 10.564 0.020 6.214 1.00 0.00 C ATOM 0 H ALA A 30 9.418 0.368 4.053 1.00 0.00 H new ATOM 0 HA ALA A 30 11.092 2.018 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.270 -0.026 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.585 0.320 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.489 -0.962 5.747 1.00 0.00 H new ATOM 345 N TRP A 31 12.550 -0.002 3.584 1.00 0.00 N ATOM 346 CA TRP A 31 13.841 -0.396 3.033 1.00 0.00 C ATOM 347 C TRP A 31 14.610 0.825 2.517 1.00 0.00 C ATOM 348 O TRP A 31 15.717 1.115 2.973 1.00 0.00 O ATOM 349 CB TRP A 31 13.648 -1.427 1.900 1.00 0.00 C ATOM 350 CG TRP A 31 14.218 -0.985 0.582 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.540 -0.841 0.273 1.00 0.00 C ATOM 352 CD2 TRP A 31 13.487 -0.600 -0.590 1.00 0.00 C ATOM 353 NE1 TRP A 31 15.677 -0.382 -1.013 1.00 0.00 N ATOM 354 CE2 TRP A 31 14.432 -0.229 -1.564 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.128 -0.532 -0.913 1.00 0.00 C ATOM 356 CZ2 TRP A 31 14.063 0.207 -2.831 1.00 0.00 C ATOM 357 CZ3 TRP A 31 11.764 -0.102 -2.175 1.00 0.00 C ATOM 358 CH2 TRP A 31 12.728 0.264 -3.120 1.00 0.00 C ATOM 0 H TRP A 31 11.746 -0.295 3.029 1.00 0.00 H new ATOM 0 HA TRP A 31 14.426 -0.855 3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.116 -2.367 2.192 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.583 -1.625 1.778 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.359 -1.057 0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 31 16.561 -0.187 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.376 -0.811 -0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.805 0.491 -3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.717 -0.048 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.412 0.598 -4.097 1.00 0.00 H new ATOM 369 N LEU A 32 14.021 1.515 1.544 1.00 0.00 N ATOM 370 CA LEU A 32 14.646 2.683 0.934 1.00 0.00 C ATOM 371 C LEU A 32 14.835 3.816 1.938 1.00 0.00 C ATOM 372 O LEU A 32 15.832 4.535 1.892 1.00 0.00 O ATOM 373 CB LEU A 32 13.804 3.168 -0.246 1.00 0.00 C ATOM 374 CG LEU A 32 12.345 3.459 0.093 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.012 4.918 -0.164 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.418 2.550 -0.695 1.00 0.00 C ATOM 0 H LEU A 32 13.105 1.282 1.160 1.00 0.00 H new ATOM 0 HA LEU A 32 15.634 2.384 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.257 4.073 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.837 2.415 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 32 12.198 3.259 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.967 5.102 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.649 5.551 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.181 5.150 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.383 2.775 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.570 2.712 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.635 1.510 -0.451 1.00 0.00 H new ATOM 388 N VAL A 33 13.876 3.977 2.842 1.00 0.00 N ATOM 389 CA VAL A 33 13.954 5.033 3.843 1.00 0.00 C ATOM 390 C VAL A 33 15.067 4.751 4.849 1.00 0.00 C ATOM 391 O VAL A 33 15.622 5.673 5.447 1.00 0.00 O ATOM 392 CB VAL A 33 12.614 5.208 4.587 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.741 6.236 5.704 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.515 5.609 3.615 1.00 0.00 C ATOM 0 H VAL A 33 13.041 3.394 2.902 1.00 0.00 H new ATOM 0 HA VAL A 33 14.179 5.959 3.314 1.00 0.00 H new ATOM 0 HB VAL A 33 12.348 4.251 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.783 6.341 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.497 5.907 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.035 7.197 5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.576 5.728 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.780 6.551 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.400 4.835 2.856 1.00 0.00 H new ATOM 404 N ARG A 34 15.393 3.475 5.027 1.00 0.00 N ATOM 405 CA ARG A 34 16.446 3.081 5.955 1.00 0.00 C ATOM 406 C ARG A 34 17.816 3.209 5.295 1.00 0.00 C ATOM 407 O ARG A 34 18.561 2.235 5.188 1.00 0.00 O ATOM 408 CB ARG A 34 16.224 1.644 6.432 1.00 0.00 C ATOM 409 CG ARG A 34 15.383 1.546 7.695 1.00 0.00 C ATOM 410 CD ARG A 34 15.525 0.184 8.355 1.00 0.00 C ATOM 411 NE ARG A 34 14.370 -0.673 8.095 1.00 0.00 N ATOM 412 CZ ARG A 34 13.169 -0.483 8.636 1.00 0.00 C ATOM 413 NH1 ARG A 34 12.960 0.532 9.466 1.00 0.00 N ATOM 414 NH2 ARG A 34 12.174 -1.309 8.346 1.00 0.00 N ATOM 0 H ARG A 34 14.944 2.698 4.542 1.00 0.00 H new ATOM 0 HA ARG A 34 16.411 3.747 6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.739 1.077 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.192 1.176 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.685 2.324 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.336 1.726 7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.428 -0.304 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.646 0.313 9.431 1.00 0.00 H new ATOM 0 HE ARG A 34 14.492 -1.463 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.722 1.171 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.037 0.673 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.329 -2.090 7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.253 -1.164 8.760 1.00 0.00 H new