USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 239 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 699 SER OG : rot 77:sc= 1.25 USER MOD Single : A 701 MET CE :methyl 156:sc= -0.144 (180deg=-0.982) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.863 6.002 -0.949 1.00 1.00 N ATOM 132 CA LEU A 694 17.560 5.423 0.196 1.00 1.00 C ATOM 133 C LEU A 694 17.969 3.978 -0.077 1.00 1.00 C ATOM 134 O LEU A 694 19.064 3.552 0.286 1.00 1.00 O ATOM 135 CB LEU A 694 16.633 5.466 1.414 1.00 1.00 C ATOM 136 CG LEU A 694 16.427 6.922 1.867 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.275 6.988 2.873 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.703 7.473 2.525 1.00 1.00 C ATOM 0 HA LEU A 694 18.464 6.002 0.382 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.672 5.014 1.166 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.061 4.880 2.228 1.00 1.00 H new ATOM 0 HG LEU A 694 16.193 7.526 0.990 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.130 8.020 3.193 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.361 6.622 2.405 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.512 6.369 3.739 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.535 8.504 2.838 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.955 6.866 3.395 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.525 7.440 1.809 1.00 1.00 H new ATOM 150 N VAL A 695 17.083 3.224 -0.707 1.00 1.00 N ATOM 151 CA VAL A 695 17.351 1.823 -1.004 1.00 1.00 C ATOM 152 C VAL A 695 18.605 1.658 -1.858 1.00 1.00 C ATOM 153 O VAL A 695 19.418 0.767 -1.607 1.00 1.00 O ATOM 154 CB VAL A 695 16.152 1.217 -1.731 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.513 -0.180 -2.234 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.971 1.120 -0.764 1.00 1.00 C ATOM 0 H VAL A 695 16.172 3.557 -1.023 1.00 1.00 H new ATOM 0 HA VAL A 695 17.518 1.305 -0.060 1.00 1.00 H new ATOM 0 HB VAL A 695 15.881 1.848 -2.577 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.657 -0.612 -2.753 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.357 -0.113 -2.920 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.782 -0.813 -1.388 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.113 0.688 -1.279 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.243 0.487 0.081 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.714 2.116 -0.403 1.00 1.00 H new ATOM 166 N VAL A 696 18.764 2.517 -2.859 1.00 1.00 N ATOM 167 CA VAL A 696 19.937 2.437 -3.726 1.00 1.00 C ATOM 168 C VAL A 696 21.211 2.642 -2.897 1.00 1.00 C ATOM 169 O VAL A 696 22.172 1.876 -3.005 1.00 1.00 O ATOM 170 CB VAL A 696 19.853 3.497 -4.832 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.197 3.572 -5.552 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.762 3.120 -5.846 1.00 1.00 C ATOM 0 H VAL A 696 18.109 3.265 -3.089 1.00 1.00 H new ATOM 0 HA VAL A 696 19.967 1.451 -4.189 1.00 1.00 H new ATOM 0 HB VAL A 696 19.608 4.461 -4.386 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.146 4.323 -6.340 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.976 3.845 -4.840 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.430 2.602 -5.990 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.712 3.880 -6.626 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.999 2.155 -6.294 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.799 3.057 -5.338 1.00 1.00 H new ATOM 182 N LEU A 697 21.198 3.676 -2.060 1.00 1.00 N ATOM 183 CA LEU A 697 22.347 3.973 -1.203 1.00 1.00 C ATOM 184 C LEU A 697 22.608 2.837 -0.212 1.00 1.00 C ATOM 185 O LEU A 697 23.756 2.464 0.028 1.00 1.00 O ATOM 186 CB LEU A 697 22.090 5.272 -0.433 1.00 1.00 C ATOM 187 CG LEU A 697 22.574 6.476 -1.250 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.866 6.511 -2.604 1.00 1.00 C ATOM 189 CD2 LEU A 697 22.262 7.764 -0.487 1.00 1.00 C ATOM 0 H LEU A 697 20.413 4.319 -1.956 1.00 1.00 H new ATOM 0 HA LEU A 697 23.226 4.082 -1.838 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.026 5.372 -0.219 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.606 5.243 0.526 1.00 1.00 H new ATOM 0 HG LEU A 697 23.649 6.389 -1.409 1.00 1.00 H new ATOM 0 HD11 LEU A 697 22.217 7.370 -3.176 1.00 1.00 H new ATOM 0 HD12 LEU A 697 22.085 5.595 -3.153 1.00 1.00 H new ATOM 0 HD13 LEU A 697 20.790 6.593 -2.450 1.00 1.00 H new ATOM 0 HD21 LEU A 697 22.605 8.622 -1.065 1.00 1.00 H new ATOM 0 HD22 LEU A 697 21.187 7.841 -0.327 1.00 1.00 H new ATOM 0 HD23 LEU A 697 22.772 7.749 0.476 1.00 1.00 H new ATOM 201 N LEU A 698 21.541 2.293 0.366 1.00 1.00 N ATOM 202 CA LEU A 698 21.680 1.203 1.329 1.00 1.00 C ATOM 203 C LEU A 698 22.309 -0.023 0.672 1.00 1.00 C ATOM 204 O LEU A 698 23.135 -0.708 1.274 1.00 1.00 O ATOM 205 CB LEU A 698 20.318 0.830 1.941 1.00 1.00 C ATOM 206 CG LEU A 698 20.061 1.627 3.237 1.00 1.00 C ATOM 207 CD1 LEU A 698 19.930 3.125 2.949 1.00 1.00 C ATOM 208 CD2 LEU A 698 18.760 1.141 3.884 1.00 1.00 C ATOM 0 H LEU A 698 20.580 2.584 0.188 1.00 1.00 H new ATOM 0 HA LEU A 698 22.336 1.549 2.128 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.524 1.031 1.222 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.291 -0.238 2.155 1.00 1.00 H new ATOM 0 HG LEU A 698 20.908 1.468 3.905 1.00 1.00 H new ATOM 0 HD11 LEU A 698 19.749 3.660 3.881 1.00 1.00 H new ATOM 0 HD12 LEU A 698 20.851 3.490 2.494 1.00 1.00 H new ATOM 0 HD13 LEU A 698 19.097 3.293 2.267 1.00 1.00 H new ATOM 0 HD21 LEU A 698 18.577 1.703 4.800 1.00 1.00 H new ATOM 0 HD22 LEU A 698 17.931 1.293 3.193 1.00 1.00 H new ATOM 0 HD23 LEU A 698 18.845 0.080 4.120 1.00 1.00 H new ATOM 220 N SER A 699 21.919 -0.286 -0.575 1.00 1.00 N ATOM 221 CA SER A 699 22.450 -1.423 -1.327 1.00 1.00 C ATOM 222 C SER A 699 23.921 -1.214 -1.675 1.00 1.00 C ATOM 223 O SER A 699 24.716 -2.153 -1.635 1.00 1.00 O ATOM 224 CB SER A 699 21.653 -1.623 -2.614 1.00 1.00 C ATOM 225 OG SER A 699 20.266 -1.678 -2.307 1.00 1.00 O ATOM 0 H SER A 699 21.236 0.273 -1.086 1.00 1.00 H new ATOM 0 HA SER A 699 22.361 -2.308 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.851 -0.806 -3.308 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.964 -2.543 -3.108 1.00 1.00 H new ATOM 0 HG SER A 699 19.931 -0.772 -2.142 1.00 1.00 H new ATOM 231 N VAL A 700 24.274 0.018 -2.026 1.00 1.00 N ATOM 232 CA VAL A 700 25.653 0.321 -2.385 1.00 1.00 C ATOM 233 C VAL A 700 26.563 0.075 -1.196 1.00 1.00 C ATOM 234 O VAL A 700 27.644 -0.501 -1.331 1.00 1.00 O ATOM 235 CB VAL A 700 25.768 1.782 -2.825 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.241 2.156 -3.004 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.034 1.970 -4.153 1.00 1.00 C ATOM 0 H VAL A 700 23.635 0.812 -2.069 1.00 1.00 H new ATOM 0 HA VAL A 700 25.954 -0.327 -3.208 1.00 1.00 H new ATOM 0 HB VAL A 700 25.324 2.423 -2.064 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.317 3.197 -3.317 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.768 2.022 -2.059 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.689 1.515 -3.763 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.114 3.010 -4.469 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.481 1.325 -4.910 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.983 1.709 -4.028 1.00 1.00 H new ATOM 247 N MET A 701 26.127 0.544 -0.036 1.00 1.00 N ATOM 248 CA MET A 701 26.909 0.405 1.183 1.00 1.00 C ATOM 249 C MET A 701 27.129 -1.059 1.562 1.00 1.00 C ATOM 250 O MET A 701 28.227 -1.431 1.965 1.00 1.00 O ATOM 251 CB MET A 701 26.210 1.145 2.325 1.00 1.00 C ATOM 252 CG MET A 701 26.440 2.651 2.155 1.00 1.00 C ATOM 253 SD MET A 701 25.506 3.570 3.407 1.00 1.00 S ATOM 254 CE MET A 701 26.403 2.973 4.860 1.00 1.00 C ATOM 0 H MET A 701 25.236 1.024 0.086 1.00 1.00 H new ATOM 0 HA MET A 701 27.891 0.842 1.002 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.143 0.924 2.320 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.600 0.810 3.286 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.503 2.877 2.245 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.131 2.964 1.158 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.301 3.693 5.672 1.00 1.00 H new ATOM 0 HE2 MET A 701 25.991 2.013 5.173 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.458 2.852 4.612 1.00 1.00 H new ATOM 264 N GLY A 702 26.096 -1.889 1.435 1.00 1.00 N ATOM 265 CA GLY A 702 26.227 -3.304 1.782 1.00 1.00 C ATOM 266 C GLY A 702 27.160 -4.036 0.822 1.00 1.00 C ATOM 267 O GLY A 702 28.003 -4.826 1.242 1.00 1.00 O ATOM 0 H GLY A 702 25.173 -1.614 1.100 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.607 -3.396 2.800 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.244 -3.775 1.765 1.00 1.00 H new ATOM 271 N ALA A 703 26.977 -3.791 -0.466 1.00 1.00 N ATOM 272 CA ALA A 703 27.779 -4.449 -1.490 1.00 1.00 C ATOM 273 C ALA A 703 29.279 -4.238 -1.278 1.00 1.00 C ATOM 274 O ALA A 703 30.066 -5.189 -1.311 1.00 1.00 O ATOM 275 CB ALA A 703 27.373 -3.902 -2.859 1.00 1.00 C ATOM 0 H ALA A 703 26.280 -3.141 -0.829 1.00 1.00 H new ATOM 0 HA ALA A 703 27.592 -5.521 -1.429 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.966 -4.386 -3.635 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.316 -4.103 -3.032 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.548 -2.826 -2.887 1.00 1.00 H new ATOM 281 N ILE A 704 29.657 -2.979 -1.065 1.00 1.00 N ATOM 282 CA ILE A 704 31.066 -2.637 -0.852 1.00 1.00 C ATOM 283 C ILE A 704 31.599 -3.303 0.419 1.00 1.00 C ATOM 284 O ILE A 704 32.708 -3.835 0.431 1.00 1.00 O ATOM 285 CB ILE A 704 31.221 -1.112 -0.731 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.911 -0.447 -2.082 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.654 -0.762 -0.309 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.168 -0.405 -2.961 1.00 1.00 C ATOM 0 H ILE A 704 29.017 -2.185 -1.035 1.00 1.00 H new ATOM 0 HA ILE A 704 31.639 -2.999 -1.706 1.00 1.00 H new ATOM 0 HB ILE A 704 30.524 -0.746 0.023 1.00 1.00 H new ATOM 0 HG12 ILE A 704 30.121 -0.998 -2.593 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.540 0.565 -1.919 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.755 0.320 -0.226 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.872 -1.222 0.655 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.355 -1.135 -1.056 1.00 1.00 H new ATOM 0 HD11 ILE A 704 31.930 0.069 -3.913 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.946 0.167 -2.456 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.521 -1.421 -3.139 1.00 1.00 H new ATOM 300 N LEU A 705 30.805 -3.265 1.487 1.00 1.00 N ATOM 301 CA LEU A 705 31.212 -3.859 2.760 1.00 1.00 C ATOM 302 C LEU A 705 31.379 -5.371 2.662 1.00 1.00 C ATOM 303 O LEU A 705 32.336 -5.922 3.203 1.00 1.00 O ATOM 304 CB LEU A 705 30.174 -3.532 3.837 1.00 1.00 C ATOM 305 CG LEU A 705 30.249 -2.037 4.184 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.016 -1.625 4.994 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.514 -1.735 5.005 1.00 1.00 C ATOM 0 H LEU A 705 29.881 -2.832 1.498 1.00 1.00 H new ATOM 0 HA LEU A 705 32.180 -3.433 3.024 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.175 -3.784 3.482 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.357 -4.133 4.728 1.00 1.00 H new ATOM 0 HG LEU A 705 30.284 -1.472 3.253 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.077 -0.564 5.236 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.116 -1.812 4.408 1.00 1.00 H new ATOM 0 HD13 LEU A 705 28.976 -2.205 5.916 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.549 -0.671 5.241 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.494 -2.311 5.930 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.397 -2.008 4.427 1.00 1.00 H new ATOM 319 N LEU A 706 30.454 -6.052 1.995 1.00 1.00 N ATOM 320 CA LEU A 706 30.547 -7.502 1.881 1.00 1.00 C ATOM 321 C LEU A 706 31.783 -7.932 1.106 1.00 1.00 C ATOM 322 O LEU A 706 32.477 -8.874 1.489 1.00 1.00 O ATOM 323 CB LEU A 706 29.299 -8.078 1.186 1.00 1.00 C ATOM 324 CG LEU A 706 28.228 -8.463 2.221 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.631 -7.213 2.867 1.00 1.00 C ATOM 326 CD2 LEU A 706 27.111 -9.247 1.528 1.00 1.00 C ATOM 0 H LEU A 706 29.646 -5.634 1.533 1.00 1.00 H new ATOM 0 HA LEU A 706 30.618 -7.891 2.897 1.00 1.00 H new ATOM 0 HB2 LEU A 706 28.892 -7.343 0.491 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.575 -8.954 0.599 1.00 1.00 H new ATOM 0 HG LEU A 706 28.694 -9.074 2.994 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.875 -7.506 3.596 1.00 1.00 H new ATOM 0 HD12 LEU A 706 28.419 -6.650 3.367 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.172 -6.590 2.099 1.00 1.00 H new ATOM 0 HD21 LEU A 706 26.351 -9.521 2.260 1.00 1.00 H new ATOM 0 HD22 LEU A 706 26.661 -8.629 0.751 1.00 1.00 H new ATOM 0 HD23 LEU A 706 27.525 -10.150 1.079 1.00 1.00 H new ATOM 338 N ILE A 707 32.047 -7.223 0.015 1.00 1.00 N ATOM 339 CA ILE A 707 33.210 -7.523 -0.816 1.00 1.00 C ATOM 340 C ILE A 707 34.505 -7.274 -0.041 1.00 1.00 C ATOM 341 O ILE A 707 35.434 -8.078 -0.091 1.00 1.00 O ATOM 342 CB ILE A 707 33.179 -6.667 -2.089 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.049 -7.153 -3.017 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.528 -6.750 -2.809 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.545 -8.279 -3.938 1.00 1.00 C ATOM 0 H ILE A 707 31.478 -6.443 -0.314 1.00 1.00 H new ATOM 0 HA ILE A 707 33.176 -8.576 -1.096 1.00 1.00 H new ATOM 0 HB ILE A 707 32.991 -5.628 -1.817 1.00 1.00 H new ATOM 0 HG12 ILE A 707 31.210 -7.509 -2.420 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.682 -6.321 -3.618 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.497 -6.139 -3.711 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.315 -6.384 -2.150 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.733 -7.786 -3.079 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.730 -8.606 -4.584 1.00 1.00 H new ATOM 0 HD12 ILE A 707 33.369 -7.912 -4.550 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.888 -9.119 -3.334 1.00 1.00 H new ATOM 357 N GLY A 708 34.552 -6.158 0.682 1.00 1.00 N ATOM 358 CA GLY A 708 35.737 -5.832 1.466 1.00 1.00 C ATOM 359 C GLY A 708 36.010 -6.941 2.474 1.00 1.00 C ATOM 360 O GLY A 708 37.158 -7.319 2.703 1.00 1.00 O ATOM 0 H GLY A 708 33.796 -5.475 0.741 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.597 -5.707 0.808 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.592 -4.884 1.985 1.00 1.00 H new ATOM 364 N LEU A 709 34.941 -7.467 3.064 1.00 1.00 N ATOM 365 CA LEU A 709 35.074 -8.542 4.041 1.00 1.00 C ATOM 366 C LEU A 709 35.713 -9.754 3.375 1.00 1.00 C ATOM 367 O LEU A 709 36.610 -10.381 3.932 1.00 1.00 O ATOM 368 CB LEU A 709 33.685 -8.912 4.599 1.00 1.00 C ATOM 369 CG LEU A 709 33.805 -10.011 5.662 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.671 -9.521 6.828 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.406 -10.363 6.180 1.00 1.00 C ATOM 0 H LEU A 709 33.982 -7.170 2.885 1.00 1.00 H new ATOM 0 HA LEU A 709 35.707 -8.212 4.865 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.214 -8.029 5.032 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.040 -9.252 3.788 1.00 1.00 H new ATOM 0 HG LEU A 709 34.270 -10.892 5.219 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.751 -10.308 7.578 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.666 -9.267 6.461 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.213 -8.639 7.275 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.484 -11.144 6.936 1.00 1.00 H new ATOM 0 HD22 LEU A 709 31.947 -9.477 6.619 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.791 -10.718 5.353 1.00 1.00 H new ATOM 383 N ALA A 710 35.253 -10.066 2.171 1.00 1.00 N ATOM 384 CA ALA A 710 35.795 -11.203 1.431 1.00 1.00 C ATOM 385 C ALA A 710 37.266 -10.983 1.104 1.00 1.00 C ATOM 386 O ALA A 710 38.065 -11.918 1.142 1.00 1.00 O ATOM 387 CB ALA A 710 35.012 -11.398 0.134 1.00 1.00 C ATOM 0 H ALA A 710 34.514 -9.555 1.688 1.00 1.00 H new ATOM 0 HA ALA A 710 35.703 -12.092 2.054 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.421 -12.247 -0.414 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.964 -11.587 0.367 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.092 -10.499 -0.478 1.00 1.00 H new ATOM 393 N ALA A 711 37.621 -9.751 0.776 1.00 1.00 N ATOM 394 CA ALA A 711 39.006 -9.465 0.442 1.00 1.00 C ATOM 395 C ALA A 711 39.912 -9.724 1.648 1.00 1.00 C ATOM 396 O ALA A 711 41.005 -10.272 1.510 1.00 1.00 O ATOM 397 CB ALA A 711 39.130 -8.015 -0.026 1.00 1.00 C ATOM 0 H ALA A 711 36.988 -8.952 0.734 1.00 1.00 H new ATOM 0 HA ALA A 711 39.324 -10.125 -0.365 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.169 -7.801 -0.276 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.506 -7.862 -0.906 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.804 -7.346 0.771 1.00 1.00 H new ATOM 403 N LEU A 712 39.463 -9.308 2.826 1.00 1.00 N ATOM 404 CA LEU A 712 40.246 -9.478 4.047 1.00 1.00 C ATOM 405 C LEU A 712 40.448 -10.951 4.404 1.00 1.00 C ATOM 406 O LEU A 712 41.521 -11.344 4.865 1.00 1.00 O ATOM 407 CB LEU A 712 39.535 -8.781 5.201 1.00 1.00 C ATOM 408 CG LEU A 712 39.502 -7.273 4.938 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.587 -6.601 5.960 1.00 1.00 C ATOM 410 CD2 LEU A 712 40.912 -6.672 5.037 1.00 1.00 C ATOM 0 H LEU A 712 38.562 -8.851 2.963 1.00 1.00 H new ATOM 0 HA LEU A 712 41.228 -9.038 3.873 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.521 -9.166 5.304 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.051 -8.987 6.139 1.00 1.00 H new ATOM 0 HG LEU A 712 39.123 -7.102 3.930 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.562 -5.527 5.775 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.580 -7.009 5.870 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.965 -6.787 6.965 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.865 -5.600 4.847 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.312 -6.846 6.036 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.561 -7.143 4.299 1.00 1.00 H new ATOM 422 N LEU A 713 39.397 -11.753 4.236 1.00 1.00 N ATOM 423 CA LEU A 713 39.469 -13.170 4.593 1.00 1.00 C ATOM 424 C LEU A 713 40.472 -13.955 3.755 1.00 1.00 C ATOM 425 O LEU A 713 41.234 -14.755 4.286 1.00 1.00 O ATOM 426 CB LEU A 713 38.088 -13.838 4.482 1.00 1.00 C ATOM 427 CG LEU A 713 37.342 -13.778 5.829 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.043 -12.332 6.218 1.00 1.00 C ATOM 429 CD2 LEU A 713 36.017 -14.535 5.710 1.00 1.00 C ATOM 0 H LEU A 713 38.498 -11.452 3.861 1.00 1.00 H new ATOM 0 HA LEU A 713 39.814 -13.193 5.627 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.499 -13.340 3.712 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.205 -14.876 4.172 1.00 1.00 H new ATOM 0 HG LEU A 713 37.974 -14.231 6.593 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.516 -12.313 7.172 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.978 -11.779 6.309 1.00 1.00 H new ATOM 0 HD13 LEU A 713 36.421 -11.870 5.451 1.00 1.00 H new ATOM 0 HD21 LEU A 713 35.488 -14.494 6.662 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.404 -14.076 4.934 1.00 1.00 H new ATOM 0 HD23 LEU A 713 36.214 -15.575 5.449 1.00 1.00 H new ATOM 441 N ILE A 714 40.485 -13.714 2.448 1.00 1.00 N ATOM 442 CA ILE A 714 41.424 -14.415 1.579 1.00 1.00 C ATOM 443 C ILE A 714 42.851 -13.999 1.923 1.00 1.00 C ATOM 444 O ILE A 714 43.768 -14.821 1.930 1.00 1.00 O ATOM 445 CB ILE A 714 41.116 -14.136 0.102 1.00 1.00 C ATOM 446 CG1 ILE A 714 41.094 -12.629 -0.158 1.00 1.00 C ATOM 447 CG2 ILE A 714 39.749 -14.724 -0.254 1.00 1.00 C ATOM 448 CD1 ILE A 714 40.863 -12.365 -1.649 1.00 1.00 C ATOM 0 H ILE A 714 39.870 -13.053 1.974 1.00 1.00 H new ATOM 0 HA ILE A 714 41.320 -15.488 1.741 1.00 1.00 H new ATOM 0 HB ILE A 714 41.891 -14.595 -0.512 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.305 -12.160 0.431 1.00 1.00 H new ATOM 0 HG13 ILE A 714 42.036 -12.182 0.159 1.00 1.00 H new ATOM 0 HG21 ILE A 714 39.530 -14.526 -1.303 1.00 1.00 H new ATOM 0 HG22 ILE A 714 39.760 -15.800 -0.082 1.00 1.00 H new ATOM 0 HG23 ILE A 714 38.982 -14.265 0.370 1.00 1.00 H new ATOM 0 HD11 ILE A 714 40.848 -11.290 -1.830 1.00 1.00 H new ATOM 0 HD12 ILE A 714 41.667 -12.819 -2.228 1.00 1.00 H new ATOM 0 HD13 ILE A 714 39.909 -12.797 -1.952 1.00 1.00 H new ATOM 460 N TRP A 715 43.025 -12.715 2.209 1.00 1.00 N ATOM 461 CA TRP A 715 44.355 -12.235 2.556 1.00 1.00 C ATOM 462 C TRP A 715 44.898 -13.078 3.716 1.00 1.00 C ATOM 463 O TRP A 715 46.009 -13.609 3.653 1.00 1.00 O ATOM 464 CB TRP A 715 44.271 -10.750 2.962 1.00 1.00 C ATOM 465 CG TRP A 715 45.623 -10.188 3.318 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.822 -10.798 3.125 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.926 -8.891 3.922 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.829 -9.967 3.587 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.329 -8.780 4.086 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.126 -7.814 4.346 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.915 -7.641 4.648 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.713 -6.666 4.911 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.103 -6.580 5.063 1.00 1.00 C ATOM 0 H TRP A 715 42.289 -12.009 2.209 1.00 1.00 H new ATOM 0 HA TRP A 715 45.026 -12.326 1.702 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.842 -10.173 2.142 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.598 -10.644 3.813 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.966 -11.773 2.683 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.821 -10.203 3.562 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.053 -7.868 4.237 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.987 -7.581 4.761 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.087 -5.846 5.230 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.546 -5.697 5.499 1.00 1.00 H new ATOM 484 N LYS A 716 44.083 -13.211 4.761 1.00 1.00 N ATOM 485 CA LYS A 716 44.460 -13.990 5.943 1.00 1.00 C ATOM 486 C LYS A 716 44.726 -15.444 5.564 1.00 1.00 C ATOM 487 O LYS A 716 45.663 -16.062 6.069 1.00 1.00 O ATOM 488 CB LYS A 716 43.315 -13.924 6.973 1.00 1.00 C ATOM 489 CG LYS A 716 43.630 -14.659 8.303 1.00 1.00 C ATOM 490 CD LYS A 716 44.492 -13.841 9.300 1.00 1.00 C ATOM 491 CE LYS A 716 45.959 -13.724 8.885 1.00 1.00 C ATOM 492 NZ LYS A 716 46.753 -13.287 10.069 1.00 1.00 N ATOM 0 H LYS A 716 43.156 -12.789 4.815 1.00 1.00 H new ATOM 0 HA LYS A 716 45.372 -13.572 6.370 1.00 1.00 H new ATOM 0 HB2 LYS A 716 43.092 -12.879 7.189 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.417 -14.357 6.533 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.691 -14.926 8.788 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.147 -15.591 8.075 1.00 1.00 H new ATOM 0 HD2 LYS A 716 44.069 -12.841 9.398 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.437 -14.308 10.283 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.326 -14.682 8.516 1.00 1.00 H new ATOM 0 HE3 LYS A 716 46.066 -13.007 8.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.755 -13.202 9.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.404 -12.365 10.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.655 -13.988 10.831 1.00 1.00 H new ATOM 506 N LEU A 717 43.907 -15.982 4.676 1.00 1.00 N ATOM 507 CA LEU A 717 44.085 -17.363 4.249 1.00 1.00 C ATOM 508 C LEU A 717 45.457 -17.536 3.611 1.00 1.00 C ATOM 509 O LEU A 717 46.110 -18.548 3.854 1.00 1.00 O ATOM 510 CB LEU A 717 42.995 -17.751 3.254 1.00 1.00 C ATOM 511 CG LEU A 717 41.649 -17.894 3.990 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.500 -17.982 2.978 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.645 -19.156 4.870 1.00 1.00 C ATOM 0 H LEU A 717 43.124 -15.494 4.241 1.00 1.00 H new ATOM 0 HA LEU A 717 44.013 -18.013 5.121 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.915 -16.994 2.473 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.254 -18.689 2.763 1.00 1.00 H new ATOM 0 HG LEU A 717 41.513 -17.017 4.622 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.554 -18.083 3.510 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.480 -17.077 2.370 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.648 -18.849 2.334 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.686 -19.240 5.382 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.801 -20.036 4.245 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.445 -19.088 5.607 1.00 1.00 H new ATOM 525 N LEU A 718 45.892 -16.587 2.782 1.00 1.00 N ATOM 526 CA LEU A 718 47.189 -16.733 2.114 1.00 1.00 C ATOM 527 C LEU A 718 48.340 -16.810 3.120 1.00 1.00 C ATOM 528 O LEU A 718 49.199 -17.686 3.041 1.00 1.00 O ATOM 529 CB LEU A 718 47.412 -15.561 1.156 1.00 1.00 C ATOM 530 CG LEU A 718 46.398 -15.647 0.006 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.422 -14.353 -0.809 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.730 -16.832 -0.918 1.00 1.00 C ATOM 0 H LEU A 718 45.384 -15.731 2.560 1.00 1.00 H new ATOM 0 HA LEU A 718 47.174 -17.669 1.555 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.298 -14.616 1.687 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.428 -15.586 0.763 1.00 1.00 H new ATOM 0 HG LEU A 718 45.406 -15.794 0.434 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.700 -14.422 -1.623 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.164 -13.512 -0.165 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.420 -14.201 -1.221 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.001 -16.878 -1.727 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.728 -16.699 -1.336 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.696 -17.760 -0.347 1.00 1.00 H new ATOM 544 N ILE A 719 48.359 -15.860 4.044 1.00 1.00 N ATOM 545 CA ILE A 719 49.408 -15.785 5.058 1.00 1.00 C ATOM 546 C ILE A 719 49.359 -16.935 6.066 1.00 1.00 C ATOM 547 O ILE A 719 50.399 -17.478 6.443 1.00 1.00 O ATOM 548 CB ILE A 719 49.304 -14.459 5.812 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.689 -13.308 4.875 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.240 -14.481 7.026 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.337 -11.967 5.528 1.00 1.00 C ATOM 0 H ILE A 719 47.656 -15.124 4.115 1.00 1.00 H new ATOM 0 HA ILE A 719 50.357 -15.860 4.527 1.00 1.00 H new ATOM 0 HB ILE A 719 48.280 -14.315 6.156 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.756 -13.347 4.655 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.164 -13.409 3.925 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.164 -13.535 7.561 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.956 -15.297 7.690 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.267 -14.627 6.691 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.613 -11.153 4.858 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.266 -11.928 5.725 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.882 -11.865 6.466 1.00 1.00 H new