USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 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 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.274 8.853 5.213 1.00 0.00 N ATOM 136 CA ALA A 10 6.886 10.196 5.627 1.00 0.00 C ATOM 137 C ALA A 10 5.669 10.157 6.545 1.00 0.00 C ATOM 138 O ALA A 10 5.588 10.908 7.517 1.00 0.00 O ATOM 139 CB ALA A 10 6.603 11.062 4.409 1.00 0.00 C ATOM 0 HA ALA A 10 7.715 10.632 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.314 12.062 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.499 11.125 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.793 10.620 3.829 1.00 0.00 H new ATOM 145 N VAL A 11 4.723 9.278 6.231 1.00 0.00 N ATOM 146 CA VAL A 11 3.510 9.141 7.028 1.00 0.00 C ATOM 147 C VAL A 11 3.825 8.604 8.420 1.00 0.00 C ATOM 148 O VAL A 11 3.371 9.152 9.425 1.00 0.00 O ATOM 149 CB VAL A 11 2.493 8.206 6.347 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.245 8.061 7.203 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.142 8.721 4.960 1.00 0.00 C ATOM 0 H VAL A 11 4.773 8.649 5.429 1.00 0.00 H new ATOM 0 HA VAL A 11 3.075 10.136 7.115 1.00 0.00 H new ATOM 0 HB VAL A 11 2.947 7.221 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.538 7.397 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.515 7.643 8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.786 9.039 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.422 8.048 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.708 9.717 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.044 8.767 4.350 1.00 0.00 H new ATOM 161 N ILE A 12 4.605 7.530 8.471 1.00 0.00 N ATOM 162 CA ILE A 12 4.982 6.920 9.740 1.00 0.00 C ATOM 163 C ILE A 12 5.835 7.870 10.575 1.00 0.00 C ATOM 164 O ILE A 12 5.631 8.006 11.781 1.00 0.00 O ATOM 165 CB ILE A 12 5.758 5.607 9.525 1.00 0.00 C ATOM 166 CG1 ILE A 12 6.166 5.004 10.871 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.981 5.850 8.655 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.996 4.724 11.788 1.00 0.00 C ATOM 0 H ILE A 12 4.988 7.064 7.648 1.00 0.00 H new ATOM 0 HA ILE A 12 4.056 6.703 10.273 1.00 0.00 H new ATOM 0 HB ILE A 12 5.108 4.898 9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.709 4.075 10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.854 5.685 11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.518 4.912 8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.667 6.239 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.636 6.573 9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.360 4.298 12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.466 5.653 11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.318 4.019 11.308 1.00 0.00 H new ATOM 180 N ALA A 13 6.789 8.527 9.924 1.00 0.00 N ATOM 181 CA ALA A 13 7.670 9.467 10.604 1.00 0.00 C ATOM 182 C ALA A 13 6.881 10.633 11.190 1.00 0.00 C ATOM 183 O ALA A 13 7.119 11.049 12.324 1.00 0.00 O ATOM 184 CB ALA A 13 8.738 9.978 9.648 1.00 0.00 C ATOM 0 H ALA A 13 6.971 8.425 8.926 1.00 0.00 H new ATOM 0 HA ALA A 13 8.156 8.941 11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.389 10.679 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.329 9.139 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.262 10.482 8.807 1.00 0.00 H new ATOM 190 N GLY A 14 5.941 11.158 10.409 1.00 0.00 N ATOM 191 CA GLY A 14 5.132 12.272 10.868 1.00 0.00 C ATOM 192 C GLY A 14 4.247 11.901 12.042 1.00 0.00 C ATOM 193 O GLY A 14 4.054 12.698 12.959 1.00 0.00 O ATOM 0 H GLY A 14 5.726 10.832 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.784 13.097 11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.510 12.628 10.047 1.00 0.00 H new ATOM 197 N GLY A 15 3.707 10.686 12.013 1.00 0.00 N ATOM 198 CA GLY A 15 2.842 10.234 13.087 1.00 0.00 C ATOM 199 C GLY A 15 3.595 10.016 14.385 1.00 0.00 C ATOM 200 O GLY A 15 3.107 10.365 15.460 1.00 0.00 O ATOM 0 H GLY A 15 3.853 10.007 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.053 10.969 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.357 9.304 12.791 1.00 0.00 H new ATOM 204 N VAL A 16 4.787 9.435 14.285 1.00 0.00 N ATOM 205 CA VAL A 16 5.608 9.171 15.460 1.00 0.00 C ATOM 206 C VAL A 16 6.076 10.469 16.108 1.00 0.00 C ATOM 207 O VAL A 16 5.995 10.632 17.325 1.00 0.00 O ATOM 208 CB VAL A 16 6.838 8.315 15.104 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.710 8.095 16.331 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.406 6.986 14.502 1.00 0.00 C ATOM 0 H VAL A 16 5.205 9.139 13.403 1.00 0.00 H new ATOM 0 HA VAL A 16 4.984 8.622 16.165 1.00 0.00 H new ATOM 0 HB VAL A 16 7.428 8.851 14.360 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.574 7.488 16.059 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.049 9.058 16.714 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.133 7.581 17.100 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.288 6.394 14.256 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.793 6.443 15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.827 7.168 13.596 1.00 0.00 H new ATOM 220 N ILE A 17 6.566 11.391 15.285 1.00 0.00 N ATOM 221 CA ILE A 17 7.046 12.676 15.777 1.00 0.00 C ATOM 222 C ILE A 17 5.911 13.486 16.396 1.00 0.00 C ATOM 223 O ILE A 17 6.061 14.064 17.471 1.00 0.00 O ATOM 224 CB ILE A 17 7.698 13.502 14.653 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.943 12.788 14.122 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.051 14.894 15.155 1.00 0.00 C ATOM 227 CD1 ILE A 17 10.061 12.689 15.137 1.00 0.00 C ATOM 0 H ILE A 17 6.641 11.271 14.275 1.00 0.00 H new ATOM 0 HA ILE A 17 7.795 12.462 16.540 1.00 0.00 H new ATOM 0 HB ILE A 17 6.984 13.603 13.835 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.666 11.784 13.799 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.308 13.317 13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.511 15.466 14.349 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.146 15.401 15.489 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.750 14.814 15.988 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.911 12.172 14.693 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.365 13.690 15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.713 12.134 16.008 1.00 0.00 H new ATOM 239 N GLY A 18 4.774 13.522 15.708 1.00 0.00 N ATOM 240 CA GLY A 18 3.629 14.262 16.205 1.00 0.00 C ATOM 241 C GLY A 18 3.102 13.704 17.512 1.00 0.00 C ATOM 242 O GLY A 18 2.771 14.457 18.429 1.00 0.00 O ATOM 0 H GLY A 18 4.625 13.052 14.815 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.908 15.306 16.345 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.835 14.242 15.458 1.00 0.00 H new ATOM 246 N PHE A 19 3.021 12.381 17.599 1.00 0.00 N ATOM 247 CA PHE A 19 2.527 11.722 18.803 1.00 0.00 C ATOM 248 C PHE A 19 3.456 11.982 19.985 1.00 0.00 C ATOM 249 O PHE A 19 3.003 12.253 21.098 1.00 0.00 O ATOM 250 CB PHE A 19 2.391 10.216 18.567 1.00 0.00 C ATOM 251 CG PHE A 19 1.045 9.811 18.039 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.350 8.757 18.612 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.474 10.483 16.971 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.889 8.382 18.129 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.765 10.113 16.484 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.447 9.060 17.062 1.00 0.00 C ATOM 0 H PHE A 19 3.291 11.743 16.850 1.00 0.00 H new ATOM 0 HA PHE A 19 1.546 12.135 19.037 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.160 9.896 17.864 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.578 9.691 19.504 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.782 8.223 19.445 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.003 11.306 16.514 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.421 7.560 18.585 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.200 10.647 15.652 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.414 8.767 16.681 1.00 0.00 H new ATOM 266 N LEU A 20 4.758 11.897 19.736 1.00 0.00 N ATOM 267 CA LEU A 20 5.753 12.122 20.779 1.00 0.00 C ATOM 268 C LEU A 20 5.697 13.560 21.284 1.00 0.00 C ATOM 269 O LEU A 20 5.842 13.816 22.479 1.00 0.00 O ATOM 270 CB LEU A 20 7.154 11.808 20.251 1.00 0.00 C ATOM 271 CG LEU A 20 8.084 11.069 21.214 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.009 9.568 20.982 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.515 11.563 21.059 1.00 0.00 C ATOM 0 H LEU A 20 5.150 11.674 18.821 1.00 0.00 H new ATOM 0 HA LEU A 20 5.528 11.456 21.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.054 11.211 19.345 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.631 12.745 19.964 1.00 0.00 H new ATOM 0 HG LEU A 20 7.758 11.276 22.233 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.677 9.059 21.676 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.987 9.225 21.145 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.309 9.343 19.959 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.162 11.026 21.752 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.852 11.387 20.037 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.557 12.630 21.276 1.00 0.00 H new ATOM 285 N PHE A 21 5.484 14.496 20.365 1.00 0.00 N ATOM 286 CA PHE A 21 5.408 15.909 20.716 1.00 0.00 C ATOM 287 C PHE A 21 4.157 16.198 21.541 1.00 0.00 C ATOM 288 O PHE A 21 4.205 16.939 22.522 1.00 0.00 O ATOM 289 CB PHE A 21 5.409 16.772 19.452 1.00 0.00 C ATOM 290 CG PHE A 21 6.659 17.587 19.284 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.650 18.952 19.521 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.844 16.988 18.887 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.799 19.705 19.367 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.996 17.735 18.732 1.00 0.00 C ATOM 295 CZ PHE A 21 8.973 19.096 18.971 1.00 0.00 C ATOM 0 H PHE A 21 5.361 14.301 19.371 1.00 0.00 H new ATOM 0 HA PHE A 21 6.284 16.156 21.317 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.285 16.128 18.582 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.549 17.441 19.478 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.734 19.434 19.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.867 15.925 18.697 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.778 20.768 19.556 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.914 17.256 18.424 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.872 19.682 18.848 1.00 0.00 H new ATOM 305 N ALA A 22 3.039 15.606 21.135 1.00 0.00 N ATOM 306 CA ALA A 22 1.775 15.798 21.837 1.00 0.00 C ATOM 307 C ALA A 22 1.855 15.270 23.266 1.00 0.00 C ATOM 308 O ALA A 22 1.409 15.928 24.206 1.00 0.00 O ATOM 309 CB ALA A 22 0.644 15.115 21.083 1.00 0.00 C ATOM 0 H ALA A 22 2.982 14.990 20.324 1.00 0.00 H new ATOM 0 HA ALA A 22 1.572 16.868 21.883 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.293 15.266 21.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.564 15.541 20.083 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.850 14.047 21.007 1.00 0.00 H new ATOM 315 N ILE A 23 2.426 14.080 23.421 1.00 0.00 N ATOM 316 CA ILE A 23 2.564 13.466 24.736 1.00 0.00 C ATOM 317 C ILE A 23 3.526 14.258 25.614 1.00 0.00 C ATOM 318 O ILE A 23 3.331 14.368 26.825 1.00 0.00 O ATOM 319 CB ILE A 23 3.062 12.012 24.628 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.033 11.151 23.892 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.343 11.445 26.011 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.730 10.993 24.643 1.00 0.00 C ATOM 0 H ILE A 23 2.800 13.522 22.653 1.00 0.00 H new ATOM 0 HA ILE A 23 1.574 13.469 25.192 1.00 0.00 H new ATOM 0 HB ILE A 23 3.991 12.003 24.057 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.830 11.595 22.918 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.460 10.165 23.710 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.694 10.417 25.918 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.108 12.047 26.502 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.429 11.464 26.605 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.049 10.371 24.062 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.920 10.521 25.607 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.281 11.973 24.802 1.00 0.00 H new ATOM 334 N PHE A 24 4.565 14.809 24.996 1.00 0.00 N ATOM 335 CA PHE A 24 5.559 15.592 25.721 1.00 0.00 C ATOM 336 C PHE A 24 4.971 16.922 26.184 1.00 0.00 C ATOM 337 O PHE A 24 5.273 17.401 27.278 1.00 0.00 O ATOM 338 CB PHE A 24 6.784 15.843 24.840 1.00 0.00 C ATOM 339 CG PHE A 24 8.000 15.074 25.272 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.602 14.165 24.417 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.542 15.262 26.533 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.721 13.456 24.811 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.662 14.556 26.933 1.00 0.00 C ATOM 344 CZ PHE A 24 10.251 13.652 26.072 1.00 0.00 C ATOM 0 H PHE A 24 4.741 14.728 23.995 1.00 0.00 H new ATOM 0 HA PHE A 24 5.863 15.023 26.600 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.542 15.577 23.811 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.016 16.908 24.848 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.192 14.009 23.430 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.085 15.968 27.211 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.180 12.750 24.135 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.076 14.712 27.918 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.125 13.099 26.383 1.00 0.00 H new ATOM 354 N LEU A 25 4.130 17.515 25.344 1.00 0.00 N ATOM 355 CA LEU A 25 3.499 18.790 25.665 1.00 0.00 C ATOM 356 C LEU A 25 2.513 18.635 26.819 1.00 0.00 C ATOM 357 O LEU A 25 2.503 19.438 27.752 1.00 0.00 O ATOM 358 CB LEU A 25 2.780 19.350 24.436 1.00 0.00 C ATOM 359 CG LEU A 25 3.662 20.054 23.405 1.00 0.00 C ATOM 360 CD1 LEU A 25 2.996 20.044 22.037 1.00 0.00 C ATOM 361 CD2 LEU A 25 3.960 21.480 23.844 1.00 0.00 C ATOM 0 H LEU A 25 3.869 17.133 24.435 1.00 0.00 H new ATOM 0 HA LEU A 25 4.280 19.487 25.970 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.259 18.531 23.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.019 20.053 24.774 1.00 0.00 H new ATOM 0 HG LEU A 25 4.605 19.513 23.331 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.638 20.550 21.316 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.834 19.014 21.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.038 20.561 22.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.589 21.966 23.098 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.026 22.032 23.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.479 21.465 24.802 1.00 0.00 H new ATOM 373 N ILE A 26 1.688 17.596 26.749 1.00 0.00 N ATOM 374 CA ILE A 26 0.701 17.334 27.789 1.00 0.00 C ATOM 375 C ILE A 26 1.376 16.997 29.114 1.00 0.00 C ATOM 376 O ILE A 26 0.968 17.480 30.172 1.00 0.00 O ATOM 377 CB ILE A 26 -0.238 16.178 27.396 1.00 0.00 C ATOM 378 CG1 ILE A 26 -1.228 15.889 28.526 1.00 0.00 C ATOM 379 CG2 ILE A 26 0.568 14.932 27.059 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.085 17.079 28.897 1.00 0.00 C ATOM 0 H ILE A 26 1.683 16.922 25.983 1.00 0.00 H new ATOM 0 HA ILE A 26 0.114 18.245 27.904 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.802 16.473 26.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.875 15.064 28.229 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.676 15.560 29.407 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.110 14.124 26.783 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.236 15.146 26.225 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.155 14.633 27.927 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.763 16.802 29.704 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.446 17.899 29.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.664 17.395 28.029 1.00 0.00 H new ATOM 392 N LEU A 27 2.411 16.167 29.051 1.00 0.00 N ATOM 393 CA LEU A 27 3.145 15.766 30.246 1.00 0.00 C ATOM 394 C LEU A 27 3.811 16.970 30.905 1.00 0.00 C ATOM 395 O LEU A 27 3.781 17.117 32.128 1.00 0.00 O ATOM 396 CB LEU A 27 4.200 14.716 29.893 1.00 0.00 C ATOM 397 CG LEU A 27 4.426 13.617 30.931 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.730 12.292 30.248 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.553 14.001 31.878 1.00 0.00 C ATOM 0 H LEU A 27 2.761 15.758 28.185 1.00 0.00 H new ATOM 0 HA LEU A 27 2.434 15.335 30.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.915 14.246 28.952 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.148 15.226 29.721 1.00 0.00 H new ATOM 0 HG LEU A 27 3.512 13.501 31.514 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.888 11.522 31.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.891 12.010 29.611 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.629 12.394 29.640 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.700 13.207 32.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.472 14.145 31.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.296 14.926 32.393 1.00 0.00 H new ATOM 411 N LEU A 28 4.409 17.830 30.088 1.00 0.00 N ATOM 412 CA LEU A 28 5.080 19.023 30.592 1.00 0.00 C ATOM 413 C LEU A 28 4.086 19.965 31.264 1.00 0.00 C ATOM 414 O LEU A 28 4.363 20.522 32.327 1.00 0.00 O ATOM 415 CB LEU A 28 5.796 19.749 29.451 1.00 0.00 C ATOM 416 CG LEU A 28 7.321 19.635 29.435 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.919 20.313 30.658 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.746 18.175 29.371 1.00 0.00 C ATOM 0 H LEU A 28 4.443 17.724 29.074 1.00 0.00 H new ATOM 0 HA LEU A 28 5.814 18.710 31.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.413 19.365 28.506 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.531 20.805 29.496 1.00 0.00 H new ATOM 0 HG LEU A 28 7.695 20.141 28.545 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.005 20.222 30.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.643 21.368 30.661 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.538 19.836 31.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.834 18.113 29.360 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.361 17.645 30.242 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.348 17.720 28.464 1.00 0.00 H new ATOM 430 N LEU A 29 2.926 20.137 30.638 1.00 0.00 N ATOM 431 CA LEU A 29 1.889 21.009 31.177 1.00 0.00 C ATOM 432 C LEU A 29 1.370 20.479 32.510 1.00 0.00 C ATOM 433 O LEU A 29 1.194 21.236 33.465 1.00 0.00 O ATOM 434 CB LEU A 29 0.734 21.136 30.182 1.00 0.00 C ATOM 435 CG LEU A 29 -0.447 21.998 30.629 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.176 23.466 30.339 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.728 21.545 29.945 1.00 0.00 C ATOM 0 H LEU A 29 2.681 19.684 29.758 1.00 0.00 H new ATOM 0 HA LEU A 29 2.327 21.993 31.344 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.126 21.547 29.252 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.363 20.136 29.957 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.572 21.878 31.705 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.027 24.064 30.664 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.717 23.784 30.877 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.023 23.603 29.268 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.558 22.170 30.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.615 21.634 28.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.931 20.506 30.204 1.00 0.00 H new ATOM 449 N VAL A 30 1.128 19.173 32.569 1.00 0.00 N ATOM 450 CA VAL A 30 0.633 18.541 33.786 1.00 0.00 C ATOM 451 C VAL A 30 1.634 18.687 34.927 1.00 0.00 C ATOM 452 O VAL A 30 1.263 19.016 36.053 1.00 0.00 O ATOM 453 CB VAL A 30 0.339 17.046 33.562 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.126 16.394 34.855 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.695 16.866 32.461 1.00 0.00 C ATOM 0 H VAL A 30 1.267 18.532 31.788 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.294 19.049 34.053 1.00 0.00 H new ATOM 0 HB VAL A 30 1.260 16.555 33.247 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.329 15.338 34.677 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.652 16.492 35.612 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.035 16.885 35.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.891 15.804 32.316 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.619 17.370 32.744 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.317 17.295 31.533 1.00 0.00 H new ATOM 465 N TYR A 31 2.904 18.439 34.627 1.00 0.00 N ATOM 466 CA TYR A 31 3.959 18.540 35.628 1.00 0.00 C ATOM 467 C TYR A 31 4.141 19.984 36.084 1.00 0.00 C ATOM 468 O TYR A 31 4.318 20.255 37.272 1.00 0.00 O ATOM 469 CB TYR A 31 5.276 17.999 35.068 1.00 0.00 C ATOM 470 CG TYR A 31 5.550 16.561 35.447 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.808 16.166 35.886 1.00 0.00 C ATOM 472 CD2 TYR A 31 4.552 15.598 35.366 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.064 14.854 36.232 1.00 0.00 C ATOM 474 CE2 TYR A 31 4.799 14.284 35.711 1.00 0.00 C ATOM 475 CZ TYR A 31 6.056 13.916 36.144 1.00 0.00 C ATOM 476 OH TYR A 31 6.306 12.607 36.488 1.00 0.00 O ATOM 0 H TYR A 31 3.228 18.167 33.699 1.00 0.00 H new ATOM 0 HA TYR A 31 3.666 17.941 36.490 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.261 18.083 33.981 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.096 18.622 35.424 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.599 16.898 35.958 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.566 15.882 35.028 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.048 14.564 36.570 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.012 13.548 35.642 1.00 0.00 H new ATOM 0 HH TYR A 31 5.491 12.076 36.370 1.00 0.00 H new ATOM 486 N ARG A 32 4.097 20.908 35.130 1.00 0.00 N ATOM 487 CA ARG A 32 4.258 22.326 35.431 1.00 0.00 C ATOM 488 C ARG A 32 3.187 22.799 36.410 1.00 0.00 C ATOM 489 O ARG A 32 3.465 23.580 37.319 1.00 0.00 O ATOM 490 CB ARG A 32 4.190 23.153 34.146 1.00 0.00 C ATOM 491 CG ARG A 32 4.906 24.490 34.244 1.00 0.00 C ATOM 492 CD ARG A 32 6.407 24.333 34.061 1.00 0.00 C ATOM 493 NE ARG A 32 6.827 24.633 32.695 1.00 0.00 N ATOM 494 CZ ARG A 32 7.997 24.262 32.187 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.859 23.580 32.928 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.307 24.573 30.935 1.00 0.00 N ATOM 0 H ARG A 32 3.951 20.700 34.142 1.00 0.00 H new ATOM 0 HA ARG A 32 5.235 22.465 35.893 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.625 22.577 33.329 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.145 23.328 33.891 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.515 25.170 33.487 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.702 24.943 35.214 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.928 24.994 34.754 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.698 23.314 34.314 1.00 0.00 H new ATOM 0 HE ARG A 32 6.187 25.156 32.098 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.625 23.339 33.891 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.757 23.296 32.535 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.647 25.098 30.361 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.206 24.288 30.546 1.00 0.00 H new